Basic information
- CAS
13344-51-9- Standard SMILES
CN=[N+]([O-])Cc1ccc(C(=O)NC(C)C)cc1- InChIKey
JKKVUULNHHEDHE-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- N-Isopropyl-p-methylazoxymethylbenzamide
- IUPAC
- methylimino-oxido-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]azanium
- English name
- benzylazoxyprocarbazine
- Molecular formula
- C12H17N3O2
- Molecular weight
- 235.28
Names & synonyms
Azoxy 1-procarbazineN-Isopropyl-p-methylazoxymethylbenzamideAzoxy-1-procarbazineBenzylazoxyprocarbazineXO438X786I13344-51-9Ro 4-8047BRN 5436057RO4-8047UNII-XO438X786Ip-Toluamide, N-isopropyl-alpha-(methylazoxy)-BENZAMIDE, 4-((METHYL-NNO-AZOXY)METHYL)-N-(1-METHYLETHYL)-
Show more names
Benzamide, N-(1-methylethyl)-4-[(2-methyl-1-oxidodiazenyl)methyl]-
N-Isopropyl-alpha-(2-methyl-NNO-azoxy)-p-toluamide66944-55-6methylimino-oxido-[[4-(propan-2-ylcarbamoyl)phenyl]methyl]azanium4-((Methylazoxy)methyl)-N-(1-methylethyl)benzamideBenzamide, 4-((methylazoxy)methyl)-N-(1-methylethyl)-Q27293927P-TOLUAMIDE, N-ISOPROPYL-.ALPHA.-(METHYLAZOXY)-BENZAMIDE, N-(1-METHYLETHYL)-4-((2-METHYL-1-OXIDODIAZENYL)METHYL)-
Database identifiers
- CAS
13344-51-9、66944-55-6- PubChem CID
- 48599
- UNII
- XO438X786I
- Nikkaji
- J415.928D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- FDA UNII
- 438 X786I · XO438X786I
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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