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
| 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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