4-amino-3-[(E)-phenyldiazenyl]-1-naphthalenesulfonic acid
Basic information
- CAS
7355-16-0- Standard SMILES
Nc1c(N=Nc2ccccc2)cc(S(=O)(=O)O)c2ccccc12- InChIKey
NVHYKPCSIVPAAM-UHFFFAOYSA-N- Molecular formula
- C16H13N3O3S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.06776246
Names & identifiers
- Preferred name
- 4-amino-3-[(E)-phenyldiazenyl]-1-naphthalenesulfonic acid
- IUPAC
- 4-amino-3-phenyldiazenylnaphthalene-1-sulfonic acid
- English name
- 1-Naphthalenesulfonicacid, 4-amino-3-(2-phenyldiazenyl)-
- Molecular formula
- C16H13N3O3S
- Molecular weight
- 327.36
Names & synonyms
7355-16-0NSC16997CHEMBL6030623SCHEMBL13868280SCHEMBL15120138NSC-16997DB-4260164-Amino-3-(2-phenyldiazenyl)-1-naphthalenesulfonic acid4-amino-3-[(E)-phenyldiazenyl]-1-naphthalenesulfonic acid1-Naphthalenesulfonicacid, 4-amino-3-(2-phenyldiazenyl)-
Database identifiers
- CAS
7355-16-0- PubChem CID
- 226495
- ChEMBL
CHEMBL6030623- Nikkaji
- J1.959.043G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Density
- 1.433 · 1.433±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.719 · 0.719±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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