p-(3-Butyl-3-methyl-1-triazeno)benzamide
Basic information
- CAS
59708-21-3- Standard SMILES
CCCCN(C)N=Nc1ccc(C(N)=O)cc1- InChIKey
DONQPAZURITJSU-UHFFFAOYSA-N- Molecular formula
- C12H18N4O
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14806121
Names & identifiers
- Preferred name
- p-(3-Butyl-3-methyl-1-triazeno)benzamide
- IUPAC
- 4-[[butyl(methyl)amino]diazenyl]benzamide
- English name
- 4-(butyl-methyl-amino)diazenylbenzamide
- Molecular formula
- C12H18N4O
- Molecular weight
- 234.3
Names & synonyms
59708-21-3p-(3-Butyl-3-methyl-1-triazeno)benzamideBRN 1819960Benzamide, 4-(3-butyl-3-methyl-1-triazenyl)-NSC87429BENZAMIDE, p-(3-BUTYL-3-METHYL-1-TRIAZENO)-NCIOpen2_005292CHEMBL170312DTXSID50876954NSC 87429NSC-87429DB-324779
Show more names
4-(3-ME-3-BU-1-TRIAZENO)BENZAMIDE4-(BUTYL-METHYL-AMINO)DIAZENYLBENZAMIDE4-[(1E)-3-Butyl-3-methyltriaz-1-en-1-yl]benzamide
Database identifiers
- CAS
59708-21-3- PubChem CID
- 43068
- DTXSID
DTXSID50876954- ChEMBL
CHEMBL170312- Nikkaji
- J68.076A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
LogP2.68
Physicochemical properties
- Boiling point
- 376.194 · 376.194±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.116 · 1.116±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.042 · 16.042±0.50(predicted)
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Compound notes
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