AC1Q3VJ1 structure

AC1Q3VJ1

4-[[2-chloro-3-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1,3,2λ5-diazaphosphinan-1-yl]methyl]-N,N-dimethylaniline

Also Known As: 4-[[2-chloro-3-[(4-dimethylaminophenyl)methyl]-2-oxo-1,3,2|4,4'-[(2-chloro-2-oxido-1,3,2-diazaphosphinane-1,3-diyl)dimethanediyl]bis(n,n-dimethylaniline)|tetra-N-methyl-4,4'-(2-chloro-2-oxo-2lambda5-[1,3,2]diazaphosphin|2-Chloro-1,3-bis{[4-(dimethylamino)phenyl]methyl}-1,3,2lambda~5~-diazaphosphinan-2-one|4-[[2-chloro-3-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1,3,2lambda5-diazaphosphinan-1-yl]methyl]-N,N-dimethylaniline

CAS: 6533-32-0
Molecular Formula C21H30ClN4OP
Molecular Weight 420.18457 g/mol
LogP 4.0
Topological Polar Surface Area 30.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 420.18457
Monoisotopic Mass 420.18457
Heavy Atoms 28
Complexity 488.0

Chemical Identifiers

CAS Number 6533-32-0
SMILES CN(C)C1=CC=C(C=C1)CN2CCCN(P2(=O)Cl)CC3=CC=C(C=C3)N(C)C
InChIKey VRKMLMFPYPSMEQ-UHFFFAOYSA-N

Product Overview

AC1Q3VJ1 (CAS 6533-32-0), with molecular formula C21H30ClN4OP and molecular weight 420.18457 g/mol. IUPAC: 4-[[2-chloro-3-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1,3,2λ5-diazaphosphinan-1-yl]methyl]-N,N-dimethylaniline.

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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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