3-Aminocinnamonitrile
Basic information
- CAS
1823-99-0- Standard SMILES
N#CC=C(N)c1ccccc1- InChIKey
GDJDODGBGRBEAN-UHFFFAOYSA-N- Molecular formula
- C9H8N2
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.06874826
Names & identifiers
- Preferred name
- 3-Aminocinnamonitrile
- IUPAC
- 3-amino-3-phenylprop-2-enenitrile
- English name
- 3-aminocinnamonitrile
- Molecular formula
- C9H8N2
- Molecular weight
- 144.17
Names & synonyms
SCHEMBL3472173-Aminocinnamonitrile(Z)-3-amino-3-phenyl-2-propenenitrile3-Amino-3-phenyl-2-propenenitrile2-Propenenitrile, 3-amino-3-phenyl-, (E)-DTXSID701366292AKOS03023006360375-56-6β-Aminobenzeneacrylonitrile3-Phenyl-3-aminoacrylonitrile3-Amino-3-phenylpropenenitrile3-amino-3-phenylprop-2-enenitrile
Show more names
2-Propenenitrile, 3-amino-3-phenyl-
Database identifiers
- CAS
1823-99-0- PubChem CID
- 74575
- DTXSID
DTXSID701366292- EC Number
- 217-355-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 86 · 86-87 °C
- Boiling point
- 379.7 · 379.7±21.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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