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Phenylbutylamines

Organic compounds that contain a phenyl ring with a butyl group bonded to an amino functional group.

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1

Di-n-octyldichlorotin, TRC

CAS: 3542-36-7 Molecular Formula: C16 H34 Cl2 Sn Molecular Weight (g/mol): 416.06 Synonym: Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574 IUPAC Name: dichloro(dioctyl)stannane SMILES: CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC

CAS 3542-36-7
Molecular Weight (g/mol) 416.06
SMILES CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC
Synonym Di-n-Octyltin-dichloride,Stannane, dichlorodioctyl-,Dioctyltin dichloride (6CI),Tin, dichlorodioctyl- (7CI),Dichlorodioctylstannane,Dichlorodioctyltin,Dioctyldichlorotin,Dioctylstannyl dichloride,NSC 102574
IUPAC Name dichloro(dioctyl)stannane
Molecular Formula C16 H34 Cl2 Sn
2

Citalopram N-Oxide, TRC

CAS: 63284-72-0 Molecular Formula: C20 H21 F N2 O2 Molecular Weight (g/mol): 340.39 Synonym: 5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, N1-oxide,1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,Citalopram N-oxide,Lu 11-305 IUPAC Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide SMILES: C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 63284-72-0
Molecular Weight (g/mol) 340.39
SMILES C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, N1-oxide,1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,Citalopram N-oxide,Lu 11-305
IUPAC Name 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide
Molecular Formula C20 H21 F N2 O2
3
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Thermo Scientific Chemicals (±)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.07
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H38N2O4·HCl
4

Thermo Scientific Chemicals Citalopram hydrobromide

CAS: 59729-32-7 Molecular Formula: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

PubChem CID 77995
CAS 59729-32-7
Molecular Weight (g/mol) 405.3
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Synonym citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Molecular Formula C20H21FN2O·HBr
6

4-phenylbutyl isothiocyanate, Thermo Scientific™

CAS: 61499-10-3 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00052335 InChI Key: CCBQOLFAKKAMLD-UHFFFAOYSA-N Synonym: 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci PubChem CID: 124881 IUPAC Name: 4-isothiocyanatobutylbenzene SMILES: C1=CC=C(C=C1)CCCCN=C=S

PubChem CID 124881
CAS 61499-10-3
Molecular Weight (g/mol) 191.292
MDL Number MFCD00052335
SMILES C1=CC=C(C=C1)CCCCN=C=S
Synonym 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci
IUPAC Name 4-isothiocyanatobutylbenzene
InChI Key CCBQOLFAKKAMLD-UHFFFAOYSA-N
Molecular Formula C11H13NS
7

Ibutilide hemifumarate salt, 99%, Thermo Scientific Chemicals

CAS: 122647-32-9 Molecular Formula: C44H76N4O10S2 Molecular Weight (g/mol): 885.23 MDL Number: MFCD01715410 InChI Key: PCIOHQNIRPWFMV-WXXKFALUNA-N Synonym: ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate PubChem CID: 5281065 IUPAC Name: (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide SMILES: OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1

PubChem CID 5281065
CAS 122647-32-9
Molecular Weight (g/mol) 885.23
MDL Number MFCD01715410
SMILES OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Synonym ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate
IUPAC Name (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
InChI Key PCIOHQNIRPWFMV-WXXKFALUNA-N
Molecular Formula C44H76N4O10S2