Basic information
- CAS
121535-88-4- Standard SMILES
CC1(C)C=CCC(C)(N=NN)C1- InChIKey
SHBDPYYOQGRTAN-UHFFFAOYSA-N- Molecular formula
- C9H17N3
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.14224756
Names & identifiers
- Preferred name
- 1-((3,3-Dimethyl-1-triazenyl)phenyl)-2-methyl-1-propanone
- IUPAC
- 5-(aminodiazenyl)-3,3,5-trimethylcyclohexene
Names & synonyms
121535-88-43,3,-Dimethyl-1-methylphenyl-1-triazene1-((3,3-Dimethyl-1-triazenyl)phenyl)-2-methyl-1-propanoneDTXSID10923857121535-89-53-(1,5,5-Trimethylcyclohex-3-en-1-yl)triaz-1-ene
Database identifiers
- CAS
121535-88-4、121535-89-5- PubChem CID
- 147659
- DTXSID
DTXSID10923857
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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