AC1LLKZC structure

AC1LLKZC

(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Also Known As: 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile|AM-807/12427174|(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile|(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

CAS: 494792-00-6
Molecular Formula C20H17Cl2N5
Molecular Weight 397.0861 g/mol
LogP 3.73864
Topological Polar Surface Area 100.63 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 397.0861
Monoisotopic Mass 397.0861
Heavy Atoms 27
Complexity 959.55695

Chemical Identifiers

CAS Number 494792-00-6
SMILES CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Cl)Cl

Product Overview

AC1LLKZC (CAS 494792-00-6), with molecular formula C20H17Cl2N5 and molecular weight 397.0861 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.

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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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