3,3-Dimethyl-1-nitrophenyl-1-triazene
Basic information
- CAS
121535-90-8- Standard SMILES
CN(C)N=Nc1ccccc1[N+](=O)[O-]- InChIKey
FUQCPAOOIOUZKI-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.08037557
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-nitrophenyl-1-triazene
- IUPAC
- N-methyl-N-[(2-nitrophenyl)diazenyl]methanamine
Names & synonyms
3,3-Dimethyl-1-nitrophenyl-1-triazeneNSC136066121535-90-8CHEMBL3250788SCHEMBL142528453,3-Dimethyl-1-o-nitrophenyltriazenNSC-136066Triazene,3-dimethyl-1-(o-nitrophenyl)-20241-01-4
Database identifiers
- CAS
121535-90-8、20241-01-4- PubChem CID
- 147681
- ChEMBL
CHEMBL3250788
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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