Basic information
- CAS
16103-51-8- Standard SMILES
CC(C)NC(=O)c1ccc(CO)cc1- InChIKey
QIDMVJPPKCUQME-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
formed during oxidative metabolism of azo-procarbazine
Names & identifiers
- Preferred name
- N-Isopropyl-4-hydroxymethylbenzamide
- IUPAC
- 4-(hydroxymethyl)-N-propan-2-ylbenzamide
- English name
- N-isopropyl-4-hydroxymethylbenzamide
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
N-Isopropyl-4-hydroxymethylbenzamide16103-51-8DTXSID90167055RefChem:163617DTXCID70895464-(hydroxymethyl)-N-propan-2-ylbenzamide4-(Hydroxymethyl)-N-isopropylbenzamideSCHEMBL3363186N-isopropyl-p-hydroxymethylbenzamideAKOS0089276454-(hydroxymethyl)-N-(propan-2-yl)benzamideBenzamide, 4-(hydroxymethyl)-N-(1-methylethyl)-
Database identifiers
- CAS
16103-51-8- PubChem CID
- 152129
- DTXSID
DTXSID90167055
Properties
Computed structural properties
- XLogP
- 0
- 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
- 184
Physicochemical properties
- Boiling point
- 380.7 · 380.7±25.0 °C(Predicted)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- pka
- 14.04 · 14.04±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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