Basic information
- CAS
3365-94-4- Standard SMILES
Nc1ccc(-c2ccc(N)c(OS(=O)(=O)O)c2)cc1- InChIKey
VOERXDBQWZMNDQ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.05177804
Names & identifiers
- Preferred name
- 4,4'-Diamino-3-biphenylyl hydrogen sulfate
- IUPAC
- [2-amino-5-(4-aminophenyl)phenyl] hydrogen sulfate
Names & synonyms
Benzidin-3-yl hydrogen sulfate4,4'-Diamino-3-biphenylyl hydrogen sulfateSulfuric acid, benzidin-3-yl esterBenzidin-3-yl hydrogen sulphateUNII-RKX5EV6HT2RKX5EV6HT24,4'-Diamino-3-diphenylyl hydrogen sulfate4,4'-Diamino-3-diphenylyl hydrogen sulphateDTXSID30187333Phenol, 2-amino-5-(p-aminophenyl)-, hydrogen sulfate (ester)3-HYDROXYBENZIDINE HYDROGEN SULFATE ESTER(1,1'-BIPHENYL)-3-OL, 4,4'-DIAMINO-, 3-(HYDROGEN SULFATE)
Show more names
(1,1'-BIPHENYL)-3-OL, 4,4'-DIAMINO-, HYDROGEN SULFATE (ESTER)RefChem:198467DTXCID401098243365-94-4SCHEMBL111384084,4'-Diamino[1,1'-biphenyl]-3-yl hydrogen sulfateQ27288165
Database identifiers
- CAS
3365-94-4- PubChem CID
- 201156
- DTXSID
DTXSID30187333- UNII
- RKX5EV6HT2
- Nikkaji
- J61.416E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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