Basic information
- CAS
5222-53-7- Standard SMILES
N#CC1(C#N)CCCCC1- InChIKey
WMEXDXWNPYTTQQ-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439832
Names & identifiers
- Preferred name
- 1,1-Cyclohexanedicarbonitrile
- IUPAC
- cyclohexane-1,1-dicarbonitrile
- English name
- 1,1-Cyclohexanedicarbonitrile
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
cyclohexane-1,1-dicarbonitrile1,1-Cyclohexanedicarbonitrile5222-53-7DicyanocyclohexandicyanocyclohexaneSCHEMBL647392SCHEMBL27565365DTXSID40337761DB-190678D86719
Database identifiers
- CAS
5222-53-7- PubChem CID
- 544561
- DTXSID
DTXSID40337761- Nikkaji
- J113.109E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Suppliers3 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
宁波坤珏医药科技有限公司0574-88327552 15355115930 · [email protected]
Related reactions
6 records
Compound notes
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