N-(1,1-Dimethyl-2-hydroxyethyl)benzamide
Basic information
- CAS
19312-05-1- Standard SMILES
CC(C)(CO)NC(=O)c1ccccc1- InChIKey
PCSOUTBWLVEYRU-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- N-(1,1-Dimethyl-2-hydroxyethyl)benzamide
- IUPAC
- N-(1-hydroxy-2-methylpropan-2-yl)benzamide
- English name
- benzamide, N-(2-hydroxy-1,1-dimethylethyl)-
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
19312-05-1N-(1,1-Dimethyl-2-hydroxyethyl)benzamideRefChem:823294667-812-0N-(1-hydroxy-2-methylpropan-2-yl)benzamideN-(2-hydroxy-1,1-dimethylethyl)benzamidebenzamide, N-(2-hydroxy-1,1-dimethylethyl)-MFCD00091543SCHEMBL621869SCHEMBL4573268PCSOUTBWLVEYRU-UHFFFAOYSA-NN-(2-hydroxy-tert-butyl)benzamide
Show more names
N-(1-hydroxy-2-methyl-propan-2-yl)benzamide
ALBB-0237392-benzoylamino-2-methyl-1-propanolAKOS001051634SB84564LS-07509DB-109509N-(2-hydroxy-1,1-dimethyl-ethyl)benzamideCS-0316375
Database identifiers
- CAS
19312-05-1- PubChem CID
- 639965
- EC Number
- 667-812-0
- Nikkaji
- J764.623B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 231 · 231-240 °C
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-(2-Hydroxy-1,1-dimethylethyl)benzamide-13C6 is an intermediate in the synthesis of 2-Methyl Hippuric Acid-13C6 (M311984) which is an isotope labelled compound of 2-Methyl Hippuric Acid (M311980). 2-Methyl Hippuric Acid is the main metabolite of o-xylene.
Upstream & downstream products
Downstream products
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Related reactions
13 records
Compound notes
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