Basic information
- CAS
36120-57-7- Standard SMILES
CN(C)N=Nc1cccc(C(N)=O)c1- InChIKey
XKCXZUQTZBASRF-UHFFFAOYSA-N- Molecular formula
- C9H12N4O
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.10111102
Names & identifiers
- Preferred name
- 3-(3,3-Dimethyl-1-triazen-1-yl)benzamide
- IUPAC
- 3-(dimethylaminodiazenyl)benzamide
- English name
- m-(3,3-Dimethyl-1-triazeno)benzamide
- Molecular weight
- 192.22
Names & synonyms
36120-57-7RefChem:2739683-(3,3-Dimethyl-1-triazen-1-yl)benzamide3-(3,3-Dimethyl-1-triazenyl)benzamidem-(3,3-Dimethyltriazeno)benzamideBenzamide, m-(3,3-dimethyl-1-triazeno)-Benzamide, m-(3,3-dimethyltriazeno)-Benzamide, 3-(3,3-dimethyl-1-triazenyl)-XH6ACX7RDENSC140017NSC-1400173-(dimethylaminodiazenyl)benzamide
Show more names
m-(3,3-Dimethyl-1-triazeno)benzamide
NSC 140017BRN 18419051-(3'-Carboxylamidophenyl)-3,3-dimethyltriazene1-(3'-Karboxylamidofenyl)-3,3-dimethyltriazenu [Czech]1-(3'-Karboxylamidophenyl)-3,3-dimethyltriazen [German]UNII-XH6ACX7RDE1-(3'-Karboxylamidofenyl)-3,3-dimethyltriazenu1-(3'-Karboxylamidophenyl)-3,3-dimethyltriazen
Database identifiers
- CAS
36120-57-7- PubChem CID
- 97649
- DTXSID
DTXSID301031883- ChEMBL
CHEMBL300086- UNII
- XH6ACX7RDE
- Nikkaji
- J73.102A
Properties
Computed structural properties
- XLogP
- 1.3
- 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
LogP1.3
Physicochemical properties
- Melting point
- 143 · 143-144 °C(Solvent: Methanol)
- Boiling point
- 324.084 · 324.084±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
- 16.08 · 16.080±0.50(predicted)
- FDA UNII
- 6 ACX7RDE · XH6ACX7RDE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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