Basic information
- CAS
19144-86-6- Standard SMILES
CC(=O)N[C@@H](C)c1ccccc1- InChIKey
PAVMRYVMZLANOQ-QMMMGPOBSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Overview
(S)-N-acetyl-1-phenylethylamine is an N-(1-phenylethyl)acetamide that has S configuration. It is functionally related to a (1S)-1-phenylethanamine. It is an enantiomer of a (R)-N-acetyl-1-phenylethylamine.
Names & identifiers
- Preferred name
- (S)-N-(1-phenylethyl)acetamide
- IUPAC
- N-[(1S)-1-phenylethyl]acetamide
- English name
- (S)-(-)-N-Acetyl-1-methylbenzylamine
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
19144-86-6(S)-N-(1-phenylethyl)acetamiden-[(1s)-1-phenylethyl]acetamide(S)-(-)-N-Acetyl-1-methylbenzylamineSCHEMBL640385SCHEMBL1192949SCHEMBL3031007(s)-n-acetyl-1-phenylethylamine(S)-N-acetyl 1-phenylethylamineDTXSID60940776CHEBI:141109PAVMRYVMZLANOQ-QMMMGPOBSA-N
Show more names
Acetamide, N-[(1S)-1-phenylethyl]-(S)-(-)-N-Acetyl-1-methylbenzylamine,98+%
N-(1-Phenylethyl)ethanimidic acidN-(1S)-1-phenyl-ethyl-acetamideAKOS017382522(-)-(s)-N-(1-phenylethyl)acetamideGS-0414N-[(1S)-1-Phenylethyl]ethanimidic acidG66436
Database identifiers
- CAS
19144-86-6- PubChem CID
- 737096
- DTXSID
DTXSID60940776- ChEBI
CHEBI:141109- Nikkaji
- J51.673B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.0508 · 1.0508 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 15 · 15+-.0.46(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
Safety & regulation
Safety data
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海昶尔医药科技有限公司15921595598;15921595598 · [email protected]
Additional notes
DefinitionChEBI: (S)-N-acetyl-1-phenylethylamine is an N-(1-phenylethyl)acetamide that has S configuration. It is functionally related to a (1S)-1-phenylethanamine. It is an enantiomer of a (R)-N-acetyl-1-phenylethylamine.
Related reactions
2 records
Compound notes
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