AC1LYGYU structure

AC1LYGYU

2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

Also Known As: Oprea1_158342|AG-205/37068032|2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile

CAS: 5580-53-0
Molecular Formula C22H26BrN3
Molecular Weight 411.131 g/mol
LogP 6.18438
Topological Polar Surface Area 62.7 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 411.131
Monoisotopic Mass 411.131
Heavy Atoms 26
Complexity 807.76514

Chemical Identifiers

CAS Number 5580-53-0
SMILES C1CCCCCC2=C(CCCC1)C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)Br

Product Overview

AC1LYGYU (CAS 5580-53-0), with molecular formula C22H26BrN3 and molecular weight 411.131 g/mol. IUPAC: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile.

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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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