Basic information
- CAS
131483-42-6- Standard SMILES
CN(C)c1ccc(N=Nc2ccc(S(=O)O)cc2)cc1- InChIKey
HHJREVCHPHGATF-UHFFFAOYSA-N- Molecular formula
- C14H15N3O2S
- Average molar mass
- 289.35 g/mol
- Monoisotopic mass
- 289.0884979
Names & identifiers
- Preferred name
- Dimethylaminoazobenzene-4-sulfinate
- IUPAC
- 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinic acid
- English name
- dimethylaminoazobenzene-4-sulfinate
- Molecular formula
- C14H15N3O2S
- Molecular weight
- 289.35
Names & synonyms
131483-42-6Dab sulfinate4-(dimethylaminodiazenyl)benzenesulfinate4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinic acidDimethylaminoazobenzene-4-sulfinateDTXSID201038593Benzenesulfinic acid, 4-((4-(dimethylamino)phenyl)azo)-Benzenesulfinic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-
Database identifiers
- CAS
131483-42-6- PubChem CID
- 125472
- DTXSID
DTXSID201038593
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 540.244 · 540.244±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.281 · 1.281±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.857 · 0.857±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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