n-Benzyl-3-bromopropanamide
Basic information
- CAS
1665-47-0- Standard SMILES
O=C(CCBr)NCc1ccccc1- InChIKey
HDBRGLDGUIIZAW-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO
- Average molar mass
- 242.11 g/mol
- Monoisotopic mass
- 241.01023
Names & identifiers
- Preferred name
- n-Benzyl-3-bromopropanamide
- IUPAC
- N-benzyl-3-bromopropanamide
- English name
- N-BENZYL-3-BROMOPROPANAMIDE
- Molecular formula
- C10H12BrNO
- Molecular weight
- 242.11
Names & synonyms
n-benzyl-3-bromopropanamide1665-47-0Propanamide, 3-bromo-N-(phenylmethyl)-NSC38808SCHEMBL10967899DTXSID90284756HDBRGLDGUIIZAW-UHFFFAOYSA-NNSC 38808NSC-38808STX104997beta-bromopropionic acid N-benzylamideAKOS022219546
Show more names
N-benzyl-3-bromopropionamidePropanamide,3-bromo-N-(phenylmethyl)-
Database identifiers
- CAS
1665-47-0- PubChem CID
- 236377
- DTXSID
DTXSID90284756
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 400.7 · 400.7±38.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 15.4 · 15.40±0.46(Predicted)
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Related reactions
3 records
Compound notes
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