Basic information
- CAS
33330-89-1- Standard SMILES
CN(C)N=Nc1ccccc1C(N)=O- InChIKey
BPIUKMIZYGZZRF-UHFFFAOYSA-N- Molecular formula
- C9H12N4O
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.10111102
Names & identifiers
- Preferred name
- 2-(3,3-Dimethyl-1-triazen-1-yl)benzamide
- IUPAC
- 2-(dimethylaminodiazenyl)benzamide
- English name
- o-(3,3-Dimethyl-1-triazeno)benzamide
- Molecular formula
- C9H12N4O
- Molecular weight
- 192.22
Names & synonyms
33330-89-12-(3,3-Dimethyl-1-triazen-1-yl)benzamideRefChem:1060964o-(3,3-Dimethyltriazeno)benzamideNSC 136896Benzamide, o-(3,3-dimethyltriazeno)-BRN 18419112-(3,3-Dimethyl-1-triazenyl)benzamideBenzamide, 2-(3,3-dimethyl-1-triazenyl)-1-(2'-Carboxylamidophenyl)-3,3-dimethyltriazeneNSC1368961-(2'-Karboxylamidofenyl)-3,3-dimethyltriazenu [Czech]
Show more names
o-(3,3-Dimethyl-1-triazeno)benzamide1-(2'-Karboxylamidophenyl)-3,3-dimethyltriazen [German]2-(3,3-dimethyltriaz-1-en-1-yl)benzamide1-(2'-Karboxylamidofenyl)-3,3-dimethyltriazenu1-(2'-Karboxylamidophenyl)-3,3-dimethyltriazenCHEMBL47494SCHEMBL11882195SCHEMBL14577778
Database identifiers
- CAS
33330-89-1- PubChem CID
- 97612
- DTXSID
DTXSID20879538- ChEMBL
CHEMBL47494- Nikkaji
- J149.116D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
LogP1.73
Physicochemical properties
- Melting point
- 130 · 130-134 °C(Solvent: Benzene; Hexane)
- Boiling point
- 331.179 · 331.179±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.19 · 1.190±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.007 · 16.007±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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