2-cyano-N-[(1S)-1-phenylethyl]acetamide
Basic information
- CAS
1240041-69-3- Standard SMILES
C[C@H](NC(=O)CC#N)c1ccccc1- InChIKey
RZFUCBLCIHIKHV-VIFPVBQESA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
Names & identifiers
- Preferred name
- 2-cyano-N-[(1S)-1-phenylethyl]acetamide
- IUPAC
- 2-cyano-N-[(1S)-1-phenylethyl]acetamide
- English name
- 2-cyano-N-((S)-1-phenylethyl)acetamide
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
1240041-69-3(S)-2-cyano-N-(1-phenylethyl)acetamide2-cyano-N-[(1S)-1-phenylethyl]acetamide2-cyano-n-((s)-1-phenylethyl)acetamideMFCD246194072-CYANO-N-(1-PHENYLETHYL)ACRYLAMIDESCHEMBL12389348AKOS032961418WS-00553Acetamide, 2-cyano-N-[(1S)-1-phenylethyl]-Y14740F829619
Database identifiers
- CAS
1240041-69-3- Nikkaji
- J3.521.861K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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