Basic information
- Standard SMILES
Nc1ccccc1NCC=Cc1ccccc1- InChIKey
UJTDSOLEQLKCHP-UHFFFAOYSA-N- Molecular formula
- C15H16N2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.13134851
Names & identifiers
- Preferred name
- 1,2-Benzenediamine,N1-(3-phenyl-2-propen-1-yl)-
- IUPAC
- 2-N-(3-phenylprop-2-enyl)benzene-1,2-diamine
- English name
- N-(3-Phenylprop-2-enyl)benzene-1,2-diamine
- Molecular formula
- C15H16N2
- Molecular weight
- 224.3
Names & synonyms
1,2-Benzenediamine,N1-(3-phenyl-2-propen-1-yl)-130964-01-12-N-(3-phenylprop-2-enyl)benzene-1,2-diamineN-(3-phenylprop-2-enyl)benzene-1,2-diamineN1-[(2E)-3-PHENYLPROP-2-EN-1-YL]BENZENE-1,2-DIAMINESCHEMBL9483381N2-cinnamylbenzene-1,2-diamineN-Cinnamyl-1,2-phenylenediamineDTXSID90378003UJTDSOLEQLKCHP-UHFFFAOYSA-NAKOS030240189N~1~-(3-Phenylprop-2-en-1-yl)benzene-1,2-diamine
Show more names
N1-Cinnamylbenzene-1,2-diamineN-(3-Phenylprop-2-en-1-yl)benzene-1,2-diamine1,2-Benzenediamine, N1-(3-phenyl-2-propen-1-yl)-N1-[(2Z)-3-phenylprop-2-en-1-yl]benzene-1,2-diamine
Database identifiers
- CAS
130964-01-1- PubChem CID
- 2771663
- DTXSID
DTXSID90378003
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 432.451 · 432.451±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.391 · 5.391±0.10(predicted)
- Hazard Codes
- T
Safety & regulation
Safety data
- hazard_code
- T
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Linked notes
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