Basic information
- CAS
66974-82-1- Standard SMILES
CN(C)N=Nc1cc(C#N)cc(C#N)c1- InChIKey
VAPRWCSWLYNLDR-UHFFFAOYSA-N- Molecular formula
- C10H9N5
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.08579531
Names & identifiers
- Preferred name
- 5-(3,3-Dimethyl-1-triazeno)isophthalonitrile
- IUPAC
- 5-(dimethylaminodiazenyl)benzene-1,3-dicarbonitrile
- English name
- 4-(3,3-Dimethyl-1-triazeno)isophthalonitrile
- Molecular formula
- C10H9N5
- Molecular weight
- 199.21
Names & synonyms
66974-82-15-(3,3-Dimethyl-1-triazeno)isophthalonitrileBRN 1819457NSC284698ISOPHTHALONITRILE, 5-(3,3-DIMETHYL-1-TRIAZENO)-1,3-Benzenedicarbonitrile, 5-(3,3-dimethyl-1-triazenyl)-CHEMBL3230449NSC 284698NSC-284698DS-0056985-Dimethylaminodiazenylbenzene-1,3-dicarbonitrile4-(3,3-Dimethyl-1-triazeno)isophthalonitrile
Show more names
1,3-Benzenedicarbonitrile, 5-(3,3-dimethyl-1-triazen-1-yl)-
Database identifiers
- CAS
66974-82-1- PubChem CID
- 48820
- ChEMBL
CHEMBL3230449
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
LogP2.18
Physicochemical properties
- Boiling point
- 319.995 · 319.995±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.125 · 1.125±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.336 · -0.336±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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