Basic information
- CAS
4458-39-3- Standard SMILES
Nc1ccc(-c2ccccc2)cc1N- InChIKey
KYEFUIBOKLKQPD-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-3,4-diamine
- IUPAC
- 4-phenylbenzene-1,2-diamine
- English name
- Biphenyl-3,4-diamine
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
[1,1'-Biphenyl]-3,4-diamine4458-39-3(1,1'-Biphenyl)-3,4-diamineDTXSID90196229RefChem:203944DTXCID501187204-phenylbenzene-1,2-diaminebiphenyl-3,4-diamine1,2-diamino-4-phenylbenzene4-phenyl-1,2-diaminobenzeneSCHEMBL6530714-phenyl-1,2-phenylenediamine
Show more names
4-phenyl-benzene-1,2-diamineSCHEMBL1965946SCHEMBL30392415KYEFUIBOKLKQPD-UHFFFAOYSA-NAKOS017482407DB-108535H68128
Database identifiers
- CAS
4458-39-3- PubChem CID
- 6452000
- DTXSID
DTXSID90196229- Nikkaji
- J802.509F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 371.4 · 371.4±30.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.10(Predicted)
Chemistry & industry
Suppliers6 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
10 records
Compound notes
Loading…