C.I. Direct Brown 1A
5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
| Molecular Formula | C32H26N8O6S |
|---|---|
| Molecular Weight | 650.7 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 246.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 650.1696 |
| Heavy Atoms | 47 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 25180-38-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)N)N=NC5=CC=C(C=C5)S(=O)(=O)O |
| InChIKey | QUCIBXXBUGRARB-UHFFFAOYSA-N |
📖 Product Overview
C.I. Direct Brown 1A (CAS: 25180-38-5) is a chemical compound with molecular formula C32H26N8O6S and molecular weight 650.7 g/mol. Its IUPAC systematic name is 5-[[4-[4-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoic acid.
QUCIBXXBUGRARB-UHFFFAOYSA-N.
SMILES: CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)O)N)N=NC5=CC=C(C=C5)S(=O)(=O)O.
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