Propanamide, 2-methyl-N-(phenylmethyl)-
Basic information
- CAS
4774-58-7- Standard SMILES
CC(C)C(=O)NCc1ccccc1- InChIKey
QHQKYJAIOSKSFL-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- Propanamide, 2-methyl-N-(phenylmethyl)-
- IUPAC
- N-benzyl-2-methylpropanamide
- English name
- PropanaMide, 2-Methyl-N-(phenylMethyl)-
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
4774-58-7Propanamide, 2-methyl-N-(phenylmethyl)-AI3-22977DTXSID80197265NSC 7127RefChem:374050DTXCID90119756N-benzyl-2-methylpropanamide2-methyl-N-benzylpropanamideSCHEMBL8760N-benzyl-2-methyl-propanamideN-benzyl-2-methyl-propionamide
Show more names
N-BENZYL-ISOBUTYRAMIDE
SCHEMBL1355160SCHEMBL2046866SCHEMBL7330778NSC7127NSC-7127STK073873AKOS003868153NCGC00331750-01
Database identifiers
- CAS
4774-58-7- PubChem CID
- 94895
- DTXSID
DTXSID80197265- EC Number
- 152-238-0
- Nikkaji
- J764.995I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 91 °C · 91 °C
- Boiling point
- 167 °C · 167 °C(Press: 15 Torr)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 16.23 · 16.23±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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