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Basic information
- CAS
4503-96-2- Standard SMILES
O=C(NC(CO)Cc1ccccc1)c1ccccc1- InChIKey
RFYNAVYPYXLVOM-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- N-(1-Hydroxy-3-Phenylpropan-2-Yl)Benzamide
- IUPAC
- N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
- English name
- S(-)-N-(α-Hydroxymethylphenethyl)benzamide
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
n-(1-hydroxy-3-phenylpropan-2-yl)benzamideRefChem:1090797BENZOYL-L-PHENYLALANINOL92265-06-0S(-)-N-(alpha-Hydroxymethylphenethyl)benzamideNSC306230NSC 306230MLS000699503MEGxm0_000140orb1991856SCHEMBL3682310CHEMBL1731675
Show more names
N-Benzoyl-L-phenylalaninol(S)-2-Benzoylamino-3-phenyl-1-propanol(2S)-2-(Benzoylamino)-3-phenyl-1-propanolS(-)-N-(α-Hydroxymethylphenethyl)benzamideN-[(αS)-α-(Hydroxymethyl)phenethyl]benzamide
NIOSH/CV5379045ACon0_001484ACon1_0022432-Benzamido-3-phenyl-1-propanolHMS2518H24NSC117755AKOS009104686N-(1-benzyl-2-hydroxyethyl)benzamide
Database identifiers
- CAS
4503-96-2、92265-06-0- PubChem CID
- 100005
- ChEMBL
CHEMBL1731675
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 513.144 · 513.144±43.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.029 · 14.029±0.46(predicted)
Chemistry & industry
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
1 records
Compound notes
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