Basic information
- CAS
23456-95-3- Standard SMILES
CN(C)N=Nc1ccc(C#N)cc1- InChIKey
RBUDTHMFOGHSOD-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile
- IUPAC
- 4-(dimethylaminodiazenyl)benzonitrile
Names & synonyms
23456-95-34-(3,3-Dimethyl-1-triazen-1-yl)benzonitrileRefChem:287456Benzonitrile, 4-(3,3-dimethyl-1-triazenyl)-Triazene, 1-(p-cyanophenyl)-3,3-dimethyl-1-(p-Cyanophenyl)-3,3-dimethyltriazeneSH5W2LHU5DNSC-1570344-(dimethylaminodiazenyl)benzonitrileNSC 157034NSC157034UNII-SH5W2LHU5D
Show more names
CHEMBL3230452DTXSID508794653,3-dimethyl-1-p-cyanophenyltriazeneBenzonitrile,3-dimethyl-1-triazenyl)-3,3-DIME-1-(4-CYANOPHENYL)TRIAZENEBenzonitrile, 4-(3,3-dimethyl-1-triazen-1-yl)-4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]benzonitrile
Database identifiers
- CAS
23456-95-3- PubChem CID
- 90107
- DTXSID
DTXSID50879465- ChEMBL
CHEMBL3230452- UNII
- SH5W2LHU5D
- Nikkaji
- J36.527K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
LogP2.35
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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