4-((2-Methyldiazenyl)methyl)-N-(1-methylethyl)benzamide

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Basic information

CAS: 2235-59-8
Standard SMILES: CN=NCc1ccc(C(=O)NC(C)C)cc1
InChIKey: MXENASHWABXOQE-UHFFFAOYSA-N
Molecular formula: C12H17N3O
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.13716217

Names & identifiers

Preferred name: 4-((2-Methyldiazenyl)methyl)-N-(1-methylethyl)benzamide
IUPAC: 4-[(methyldiazenyl)methyl]-N-propan-2-ylbenzamide
English name: Azoprocarbazine
Molecular formula: C12H17N3O
Molecular weight: 219.28

Names & synonyms

2235-59-84-[(2-Methyldiazenyl)methyl]-N-(1-methylethyl)benzamide4-((2-Methyldiazenyl)methyl)-N-(1-methylethyl)benzamideRefChem:198525AzoprocarbazineAzo-natulan4-[(methyldiazenyl)methyl]-N-propan-2-ylbenzamideN-Isopropyl-alpha-(2-methylazo)-p-toluamideBenzamide, 4-((methylazo)methyl)-N-(1-methylethyl)-56768KS32DCCRIS 1267BRN 2648551

Show more names

Procarbazine ImpurityAzoprocarbazine (4-(Methylazomethyl

p-Toluamide, N-isopropyl-alpha-(methylazo)-UNII-56768KS32Dp-Toluamide, N-isopropyl-alpha-(2-methylazo)-DTXSID1012068564-[Methylazomethyl]-N-isopropyl-benzamid4-[(Methyldiazenyl)methyl]-N-(propan-2-yl)benzamideN-ISOPROPYL-.ALPHA.-(2-METHYLAZO)-P-TOLUAMIDEQ27261380

Database identifiers

CAS: 2235-59-8
PubChem CID: 75230
DTXSID: DTXSID101206856
UNII: 56768KS32D
Nikkaji: J48.886K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 53.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Physicochemical properties

Boiling point: 360.1 °C · 360.1°C (rough estimate)
Density: 1.0739 · 1.0739 (rough estimate)
refractive index: 1.529 · 1.5290 (estimate)
pka: 14.953 · 14.953±0.46(predicted)
FDA UNII: 56768 KS32D · 56768KS32D

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Compound notes

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