2',3-Dimethyl-4-amino-4',5-disulfoazobenzene
Basic information
- CAS
3244-97-1- Standard SMILES
Cc1cc(S(=O)(=O)O)ccc1N=Nc1cc(C)c(N)c(S(=O)(=O)O)c1- InChIKey
QODCSWITAUIWCQ-UHFFFAOYSA-N- Molecular formula
- C14H15N3O6S2
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.04022755
Names & identifiers
- Preferred name
- 2',3-Dimethyl-4-amino-4',5-disulfoazobenzene
- IUPAC
- 2-amino-3-methyl-5-[(2-methyl-4-sulfophenyl)diazenyl]benzenesulfonic acid
Names & synonyms
2',3-dimethyl-4-amino-4',5-disulfoazobenzene3244-97-12-amino-3-methyl-5-[(2-methyl-4-sulfophenyl)diazenyl]benzenesulfonic acidDTXSID8011439466387-33-32-Amino-3-methyl-5-[(2-methyl-4-sulfophenyl)diazenyl]benzene-1-sulfonic acid2-Amino-3-methyl-5-[2-(2-methyl-4-sulfophenyl)diazenyl]benzenesulfonic acid
Database identifiers
- CAS
3244-97-1、6387-33-3- PubChem CID
- 415681
- DTXSID
DTXSID801143946- EC Number
- 608-742-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 697
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Compound notes
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