Basic information
- CAS
40478-40-8- Standard SMILES
CC(NC(=O)CCc1ccccc1)c1ccccc1- InChIKey
RCLOJLWVCROWJC-UHFFFAOYSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Names & identifiers
- Preferred name
- 3-Phenyl-N-(1-phenylethyl)propanimidic acid
- IUPAC
- 3-phenyl-N-(1-phenylethyl)propanamide
- English name
- 3-phenyl-N-(1-phenylethyl)propanamide
- Molecular formula
- C17H19NO
- Molecular weight
- 253.34
Names & synonyms
40478-40-8DTXSID009608573-Phenyl-N-(1-phenylethyl)propanimidic acidRefChem:1068484DTXCID0013886993-phenyl-N-(1-phenylethyl)propanamideBRN 3140540N-(alpha-Methylbenzyl)hydrocinnamamideBenzenepropanamide, N-(1-phenylethyl)-Hydrocinnamamide, N-(alpha-methylbenzyl)-N-(alpha-Methylbenzyl)-beta-phenylpropionamid [German]N-(alpha-Methylbenzyl)-beta-phenylpropionamid
Show more names
N-(1-Phenylethyl)benzenepropanamide
Oprea1_072360Oprea1_7044900-12-00-01095 (Beilstein Handbook Reference)SCHEMBL41606863-phenyl-N-(phenylethyl)propanamideSTK044367AKOS000487118AKOS016195179
Database identifiers
- CAS
40478-40-8- PubChem CID
- 64880
- DTXSID
DTXSID00960857- Nikkaji
- J1.590.236A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 454.7 · 454.7±34.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 15.27 · 15.27±0.46(Predicted)
Chemistry & industry
Suppliers1 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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