AC1L5DDE structure

AC1L5DDE

4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(dipropylamino)phenyl]methyl]-N,N-dimethylaniline

Also Known As: 2-chloro-4-(4-(dipropylamino)benzyl)-N,N-dimethylaniline|4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylic acid)- 2-chloro-4-[4-(dipropylamino)benzyl]-n,n-dimethylaniline(1:1)|4,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--2-chloro-4-{[4-(dipropylamino)phenyl]methyl}-N,N-dimethylaniline (1/1)|4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 2-chloro-4-[[4-(dipropylamino)phenyl]methyl]-N,N-dimethylaniline|4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(dipropylamino)phenyl]methyl]-N,N-dimethylaniline

CAS: 62855-91-8
Molecular Formula C44H45ClN2O6
Molecular Weight 732.29663 g/mol
LogP 10.0146
Topological Polar Surface Area 122.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 12
Exact Mass 732.29663
Monoisotopic Mass 732.29663
Heavy Atoms 53
Complexity 901.0

Chemical Identifiers

CAS Number 62855-91-8
SMILES CCCN(CCC)C1=CC=C(C=C1)CC2=CC(=C(C=C2)N(C)C)Cl.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChIKey QQAXLVISCLOIQI-UHFFFAOYSA-N

Product Overview

AC1L5DDE (CAS 62855-91-8), with molecular formula C44H45ClN2O6 and molecular weight 732.29663 g/mol. IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-chloro-4-[[4-(dipropylamino)phenyl]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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