2-Bromo-2-methyl-N-phenylpropanamide
Basic information
- CAS
2322-45-4- Standard SMILES
CC(C)(Br)C(=O)Nc1ccccc1- InChIKey
PLMADUFDYDHKTB-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO
- Average molar mass
- 242.11 g/mol
- Monoisotopic mass
- 241.01023
Names & identifiers
- Preferred name
- 2-Bromo-2-methyl-N-phenylpropanamide
- IUPAC
- 2-bromo-2-methyl-N-phenylpropanamide
- English name
- CCRIS 1823
- Molecular formula
- C10H12BrNO
- Molecular weight
- 242.11
Names & synonyms
2-Bromo-2-methyl-N-phenylpropanamide2322-45-4NSC 4620MFCD02751707CCRIS 1823Propanamide, 2-bromo-2-methyl-N-phenyl-NSC 4017972-bromo-2-methyl-N-phenyl-propionamideNSC4620NSC-4620Isobutyric acid, 2-bromo-N-phenyl-NSC401797
Show more names
NSC-401797N-phenyl-2-bromo-2-methylpropionamide2-BromoisobutyranilideWQU5TJ66ENSCHEMBL4366192-Bromo-2-methylpropionanilideDTXSID50177796ALBB-018951
Database identifiers
- CAS
2322-45-4- PubChem CID
- 94835
- DTXSID
DTXSID50177796- UNII
- WQU5TJ66EN
- Nikkaji
- J594.759F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 356.2 · 356.2±25.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 13.59 · 13.59±0.70(Predicted)
- FDA UNII
- 5 TJ66EN · WQU5TJ66EN
- 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
Related reactions
2 records
Compound notes
Loading…