AC1Q3BCE structure

AC1Q3BCE

3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dichlorophenyl)propanamide;hydrochloride

Also Known As: 4-morpholin-4-ylbutanoic acid,hydrochloride|trans-N-(2,6-Dichlorophenyl)octahydro-1(2H)-quinolinepropanamide monohydrochloride|1(2H)-Quinolinepropanamide, N-(2,6-dichlorophenyl)octahydro-, monohydrochloride, trans-|1 -Quinolinepropanamide,N- octahydro-,monohydrochloride,trans-|N-(2,6-Dichlorophenyl)-3-[(4aR,8aS)-octahydro-1(2H)-quinolinyl]propanamide hydrochloride|3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dichlorophenyl)propanamide hydrochloride|N-(2,6-Dichlorophenyl)-3-(octahydroquinolin-1(2H)-yl)propanimidic acid--hydrogen chloride (1/1)|n-(2,6-dichlorophenyl)-3-[(4ar,8as)-octahydroquinolin-1(2h)-yl]propanamide hydrochloride(1:1)|N-(2,6-Dichlorophenyl)-3-[(4aR,8aS)-octahydro-1(2H)-quinolinyl]pr opanamide hydrochloride (1:1)|N-(2,6-Dichlorophenyl)-3-[(4aR,8aS)-octahydroquinolin-1(2H)-yl]propanimidic acid--hydrogen chloride (1/1)

CAS: 516-78-9
Molecular Formula C18H25Cl3N2O
Molecular Weight 390.10324 g/mol
LogP 5.3984
Topological Polar Surface Area 32.3 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
Rotatable Bonds 4
Exact Mass 390.10324
Monoisotopic Mass 390.10324
Heavy Atoms 24
Complexity 396.0

Chemical Identifiers

CAS Number 516-78-9
SMILES C1CC[C@H]2[C@H](C1)CCCN2CCC(=O)NC3=C(C=CC=C3Cl)Cl.Cl
InChIKey VIDFKXOLJFMNTC-CACIRBSMSA-N

Product Overview

AC1Q3BCE (CAS 516-78-9), with molecular formula C18H25Cl3N2O and molecular weight 390.10324 g/mol. IUPAC: 3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dichlorophenyl)propanamide;hydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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