Nitrogen mustard compounds

Nitrogen mustards are cytotoxic organic compounds with the chloroethylamine functional group, which consists of the following structure: Cl(CH2)2NR2, where R can be any organic group. They are nitrogen analogs of mustard gas.

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1 – 12 of 12 results

Perfluorotributylamine, Mass Spec Std, Thermo Scientific Chemicals

CAS: 311-89-7 Molecular Formula: C12F27N Molecular Weight (g/mol): 671.096 MDL Number: MFCD00000436 InChI Key: RVZRBWKZFJCCIB-UHFFFAOYSA-N Synonym: perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine PubChem CID: 9397 ChEBI: CHEBI:38854 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

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PubChem CID	9397
CAS	311-89-7
Molecular Weight (g/mol)	671.096
ChEBI	CHEBI:38854
MDL Number	MFCD00000436
SMILES	C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine
IUPAC Name	1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
InChI Key	RVZRBWKZFJCCIB-UHFFFAOYSA-N
Molecular Formula	C12F27N

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Perfluoro-compound FC-40(TM), Thermo Scientific Chemicals

CAS: 51142-49-5 Molecular Formula: C21F48N2 Molecular Weight (g/mol): 1192.168 MDL Number: MFCD01632188 InChI Key: QDOIZVITZUBGOQ-UHFFFAOYSA-N Synonym: fluorinert fc-40,perfluoro-compound fc-40,bis nonafluorobutyl trifluoromethyl amine; perfluorotributylamine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine; 1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl trifluoromethyl amine; perfluorotributylamine PubChem CID: 2723673 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine;1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(trifluoromethyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F)(F)F

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PubChem CID	2723673
CAS	51142-49-5
Molecular Weight (g/mol)	1192.168
MDL Number	MFCD01632188
SMILES	C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F)(F)F)(F)F
Synonym	fluorinert fc-40,perfluoro-compound fc-40,bis nonafluorobutyl trifluoromethyl amine; perfluorotributylamine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,1,1,2,2,3,3,4,4,4-nonafluoro-n,n-bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl butan-1-amine; 1,1,2,2,3,3,4,4,4-nonafluoro-n-1,1,2,2,3,3,4,4,4-nonafluorobutyl-n-trifluoromethyl butan-1-amine,bis 1,1,2,2,3,3,4,4,4-nonafluorobutyl trifluoromethyl amine; perfluorotributylamine
IUPAC Name	1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine;1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(trifluoromethyl)butan-1-amine
InChI Key	QDOIZVITZUBGOQ-UHFFFAOYSA-N
Molecular Formula	C21F48N2

Perfluorotri-n-butylamine, tech. 90%, Thermo Scientific Chemicals

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Specifications

PubChem CID	9397
CAS	311-89-7
Molecular Weight (g/mol)	671.096
ChEBI	CHEBI:38854
MDL Number	MFCD00000436
SMILES	C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine
IUPAC Name	1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
InChI Key	RVZRBWKZFJCCIB-UHFFFAOYSA-N
Molecular Formula	C12F27N

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Cyclophosphamide monohydrate, 97%

CAS: 6055-19-2 Molecular Formula: C7H17Cl2N2O3P Molecular Weight (g/mol): 279.10 MDL Number: MFCD00149395 InChI Key: PWOQRKCAHTVFLB-UHFFFAOYNA-N Synonym: cyclophosphamide monohydrate,cyclophosphamide hydrate,cytoxan,endoxon,endoxan monohydrate,ciclophosphamide hydrat,cytoxan hydrate,endoxan a,cyclophosphamide hydrated PubChem CID: 22420 ChEBI: CHEBI:4026 IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine;hydrate SMILES: O.ClCCN(CCCl)P1(=O)NCCCO1

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Specifications

PubChem CID	22420
CAS	6055-19-2
Molecular Weight (g/mol)	279.10
ChEBI	CHEBI:4026
MDL Number	MFCD00149395
SMILES	O.ClCCN(CCCl)P1(=O)NCCCO1
Synonym	cyclophosphamide monohydrate,cyclophosphamide hydrate,cytoxan,endoxon,endoxan monohydrate,ciclophosphamide hydrat,cytoxan hydrate,endoxan a,cyclophosphamide hydrated
IUPAC Name	N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine;hydrate
InChI Key	PWOQRKCAHTVFLB-UHFFFAOYNA-N
Molecular Formula	C7H17Cl2N2O3P

Bis(2-chloroethyl)amine hydrochloride, 98%

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N-methyl-bis(trifluoroacetamide), 98%

CAS: 685-27-8 Molecular Formula: C₅H₃F₆NO₂ Molecular Weight (g/mol): 223.07 InChI Key: AWGBWLXGUPTXHF-UHFFFAOYSA-N Synonym: mbtfa,n-methyl-bis trifluoroacetamide,n-methylbis trifluoroacetamide,2,2,2-trifluoro-n-methyl-n-trifluoroacetyl acetamide,n,n-bis trifluoroacetyl methylamine,2,2,2-trifluoro-n-methyl-n-2,2,2-trifluoroacetyl acetamide,acetamide, 2,2,2-trifluoro-n-methyl-n-trifluoroacetyl,n-methylbistrifluoroacetamide,n-methyl-bis-trifluoroacetamide PubChem CID: 69635 IUPAC Name: 2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide SMILES: CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F

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Specifications

PubChem CID	69635
CAS	685-27-8
Molecular Weight (g/mol)	223.07
SMILES	CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F
Synonym	mbtfa,n-methyl-bis trifluoroacetamide,n-methylbis trifluoroacetamide,2,2,2-trifluoro-n-methyl-n-trifluoroacetyl acetamide,n,n-bis trifluoroacetyl methylamine,2,2,2-trifluoro-n-methyl-n-2,2,2-trifluoroacetyl acetamide,acetamide, 2,2,2-trifluoro-n-methyl-n-trifluoroacetyl,n-methylbistrifluoroacetamide,n-methyl-bis-trifluoroacetamide
IUPAC Name	2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide
InChI Key	AWGBWLXGUPTXHF-UHFFFAOYSA-N
Molecular Formula	C₅H₃F₆NO₂

Bis(2,2,2-trifluoroethyl)amine, 95%

CAS: 407-01-2 Molecular Formula: C4H5F6N Molecular Weight (g/mol): 181.081 MDL Number: MFCD00042094 InChI Key: GTJGHXLFPMOKCE-UHFFFAOYSA-N PubChem CID: 78999 IUPAC Name: 2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine SMILES: C(C(F)(F)F)NCC(F)(F)F

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PubChem CID	78999
CAS	407-01-2
Molecular Weight (g/mol)	181.081
MDL Number	MFCD00042094
SMILES	C(C(F)(F)F)NCC(F)(F)F
IUPAC Name	2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine
InChI Key	GTJGHXLFPMOKCE-UHFFFAOYSA-N
Molecular Formula	C4H5F6N

Bis(2-chloroethyl)amine hydrochloride, 98%

CAS: 821-48-7 Molecular Formula: C4H10Cl3N Molecular Weight (g/mol): 178.481 MDL Number: MFCD00012515 InChI Key: YMDZDFSUDFLGMX-UHFFFAOYSA-N Synonym: bis 2-chloroethyl amine hydrochloride,2,2'-dichlorodiethylamine hydrochloride,2-chloro-n-2-chloroethyl ethanamine hydrochloride,nor-lost hydrochlorid,nor-hn2,ethanamine, 2-chloro-n-2-chloroethyl-, hydrochloride,n,n-bis 2-chloroethyl amine hydrochloride,di-2-chloroethyl amine hydrochloride,2,2-dichlorodiethylamine hydrochloride,bis-2-chloroethyl amine hydrochloride PubChem CID: 522769 IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride SMILES: C(CCl)NCCCl.Cl

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Specifications

PubChem CID	522769
CAS	821-48-7
Molecular Weight (g/mol)	178.481
MDL Number	MFCD00012515
SMILES	C(CCl)NCCCl.Cl
Synonym	bis 2-chloroethyl amine hydrochloride,2,2'-dichlorodiethylamine hydrochloride,2-chloro-n-2-chloroethyl ethanamine hydrochloride,nor-lost hydrochlorid,nor-hn2,ethanamine, 2-chloro-n-2-chloroethyl-, hydrochloride,n,n-bis 2-chloroethyl amine hydrochloride,di-2-chloroethyl amine hydrochloride,2,2-dichlorodiethylamine hydrochloride,bis-2-chloroethyl amine hydrochloride
IUPAC Name	2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
InChI Key	YMDZDFSUDFLGMX-UHFFFAOYSA-N
Molecular Formula	C4H10Cl3N

N,N-Bis(2-chloroethyl)-p-toluenesulfonamide, tech. 90%

CAS: 42137-88-2 Molecular Formula: C11H15Cl2NO2S Molecular Weight (g/mol): 296.206 MDL Number: MFCD00018944 InChI Key: PTVBBIMKLOMGSY-UHFFFAOYSA-N Synonym: n,n-bis 2-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-p-toluenesulphonamide,n,n-bis .beta.-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-toluenesulfonamide,n,n-bis 2'-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulphonamide,benzenesulfonamide, n,n-bis 2-chloroethyl-4-methyl,n,n-bis-2-chloro-ethyl-4-methyl-benzenesulfonamide PubChem CID: 96039 IUPAC Name: N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl

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Specifications

PubChem CID	96039
CAS	42137-88-2
Molecular Weight (g/mol)	296.206
MDL Number	MFCD00018944
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N(CCCl)CCCl
Synonym	n,n-bis 2-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-p-toluenesulphonamide,n,n-bis .beta.-chloroethyl-p-toluenesulfonamide,n,n-bis 2-chloroethyl-4-toluenesulfonamide,n,n-bis 2'-chloroethyl-4-methylbenzenesulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulfonamide,n,n-bis 2-chloroethyl-4-methylbenzene sulphonamide,benzenesulfonamide, n,n-bis 2-chloroethyl-4-methyl,n,n-bis-2-chloro-ethyl-4-methyl-benzenesulfonamide
IUPAC Name	N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide
InChI Key	PTVBBIMKLOMGSY-UHFFFAOYSA-N
Molecular Formula	C11H15Cl2NO2S

Perfluorotripentylamine, tech. 85%, Thermo Scientific Chemicals

CAS: 338-84-1 Molecular Formula: C15F33N Molecular Weight (g/mol): 821.119 MDL Number: MFCD00042367 InChI Key: AQZYBQIAUSKCCS-UHFFFAOYSA-N Synonym: perfluorotripentylamine,tris undecafluoropentyl amine,perfluorotri-n-pentylamine,perfluorotriamylamine,fluorinert fc-70,perfluoro-compound fc-70,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis undecafluoropentyl,1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl pentan-1-amine,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl,fluorinert fc 70 PubChem CID: 67646 IUPAC Name: 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine SMILES: C(C(C(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	67646
CAS	338-84-1
Molecular Weight (g/mol)	821.119
MDL Number	MFCD00042367
SMILES	C(C(C(N(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
Synonym	perfluorotripentylamine,tris undecafluoropentyl amine,perfluorotri-n-pentylamine,perfluorotriamylamine,fluorinert fc-70,perfluoro-compound fc-70,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis undecafluoropentyl,1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl pentan-1-amine,1-pentanamine, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-n,n-bis 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl,fluorinert fc 70
IUPAC Name	1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
InChI Key	AQZYBQIAUSKCCS-UHFFFAOYSA-N
Molecular Formula	C15F33N

Perfluoro-compound FC-43(TM), Thermo Scientific Chemicals

CAS: 311-89-7 Molecular Formula: C₁₂F₂₇N Molecular Weight (g/mol): 670 MDL Number: MFCD00000436 InChI Key: RVZRBWKZFJCCIB-UHFFFAOYSA-N Synonym: perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine PubChem CID: 9397 ChEBI: CHEBI:38854 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine SMILES: C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	9397
CAS	311-89-7
Molecular Weight (g/mol)	670
ChEBI	CHEBI:38854
MDL Number	MFCD00000436
SMILES	C(C(C(F)(F)F)(F)F)(C(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorotributylamine,tris perfluorobutyl amine,tri perfluorobutyl amine,tris nonafluorobutyl amine,heptacosafluorotributylamine,fluorinert,fluosol 43,perfluorotri-n-butylamine,fluorocarbon fc 43,tri nonafluorobutyl amine
IUPAC Name	1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine
InChI Key	RVZRBWKZFJCCIB-UHFFFAOYSA-N
Molecular Formula	C₁₂F₂₇N

Alfa Aesar™ Cyclophosphamide monohydrate, 97+%

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Nitrogen mustard compounds

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