N-(1-cyano-1-methylethyl)benzamide
Basic information
- CAS
54016-31-8- Standard SMILES
CC(C)(C#N)NC(=O)c1ccccc1- InChIKey
KQMOBXIDUMSODX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- N-(1-cyano-1-methylethyl)benzamide
- IUPAC
- N-(2-cyanopropan-2-yl)benzamide
- English name
- N-(1-cyano-1-methylethyl)benzamide
- Molecular formula
- C11H12N2O
- Molecular weight
- 188.23
Names & synonyms
N-(1-cyano-1-methylethyl)benzamide54016-31-8N-(2-cyanopropan-2-yl)benzamideSCHEMBL4967949DTXSID00395882ECA01631N-(1-cyano-1-methyl-ethyl)benzamideEN300-78425G27649AE-018/31857030F180547Z648891118
Show more names
Benzamide, N-(1-cyano-1-methylethyl)-
Database identifiers
- CAS
54016-31-8- PubChem CID
- 3748397
- DTXSID
DTXSID00395882
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 168 °C · 168 °C
- Boiling point
- 399.8 · 399.8±25.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 11.76 · 11.76±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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