Basic information
- CAS
30687-13-9- Standard SMILES
O=C(/C=C/c1ccccc1)NCCCO- InChIKey
SEVBHPUMAQYJSX-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- Cinnamamide, N-(3-hydroxypropyl)-
- IUPAC
- (E)-N-(3-hydroxypropyl)-3-phenylprop-2-enamide
- English name
- N-(3-Hydroxypropyl)-3-phenylpropenamide
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
CINNAMAMIDE, N-(3-HYDROXYPROPYL)-30687-13-9RefChem:1081695N-(3-Hydroxypropyl)cinnamamideBRN 22583502-Propenamide, N-(3-hydroxypropyl)-3-phenyl-N-(3-Hydroxypropyl)-3-phenylpropenamide(2E)-N-(3-hydroxypropyl)-3-phenylprop-2-enamideCHEMBL2238334SCHEMBL27093051AKOS009215342ST51025932
Database identifiers
- CAS
30687-13-9- PubChem CID
- 5877832
- ChEMBL
CHEMBL2238334- Nikkaji
- J2.823.493G、J48.527F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 91 · 91-92 °C
- Boiling point
- 455.4 · 455.4±45.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 14.9 · 14.90±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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