N-(1-Hydroxy-2-butanyl)-4-methylbenzamide
Basic information
- CAS
791831-18-0- Standard SMILES
CCC(CO)NC(=O)c1ccc(C)cc1- InChIKey
BQADMKZKMUYENW-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- N-(1-Hydroxy-2-butanyl)-4-methylbenzamide
- IUPAC
- N-(1-hydroxybutan-2-yl)-4-methylbenzamide
- English name
- Benzamide, N-[1-(hydroxymethyl)propyl]-4-methyl- (9CI)
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
791831-18-0Benzamide,N-[1-(hydroxymethyl)propyl]-4-methyl-N-[1-(hydroxymethyl)propyl]-4-methylbenzamideN-(1-Hydroxy-2-butanyl)-4-methylbenzamideN-(1-hydroxybutan-2-yl)-4-methylbenzamideSCHEMBL12947869DTXSID90404518AKOS008974192AG-H-17725AO-548/42572540Benzamide, N-[1-(hydroxymethyl)propyl]-4-methyl-Benzamide, N-[1-(hydroxymethyl)propyl]-4-methyl- (9CI)
Database identifiers
- CAS
791831-18-0- PubChem CID
- 4582973
- DTXSID
DTXSID90404518- EC Number
- 168-214-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
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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