Basic information
- CAS
1246817-05-9- Standard SMILES
[2H]C([2H])([2H])CC(C)(C#N)CC#N- InChIKey
DJZGLUQLFIHGPM-FIBGUPNXSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 125.19 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-2-methyl-succinonitrile-d3
- IUPAC
- 2-methyl-2-(2,2,2-trideuterioethyl)butanedinitrile
- English name
- 2-methyl-2-(2,2,2-trideuterioethyl)butanedinitrile
- Molecular formula
- C7H7D3N2
- Molecular weight
- 125.186185334
Names & synonyms
2-Ethyl-2-methyl-succinonitrile-d31246817-05-92-Ethyl-2-methyl-butanedinitrile-d3;2-methyl-2-(2,2,2-trideuterioethyl)butanedinitrile
Database identifiers
- CAS
1246817-05-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- solubility
- soluble in Dichloromethane, Ethyl Acetate, Methanol
- form
- Oil
- color
- Yellow
Chemistry & industry
Applications
UsesAn intermediate in the preparation of labelled Ethosuximide.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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