Basic information
- CAS
28118-33-4- Standard SMILES
CCC(C#N)(C#N)CC- InChIKey
AIEHSKCCVPIDNR-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439832
Names & identifiers
- Preferred name
- 2,2-Diethylmalononitrile
- IUPAC
- 2,2-diethylpropanedinitrile
- English name
- 2,2-DIETHYLMALONONITRILE
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
2,2-diethylmalononitrile28118-33-4DTXSID50380425RefChem:243264DTXCID903314512,2-diethylpropanedinitrilediethylpropanedinitrileDiaethylmalonitril2,2-Diethyl-malononitrile2,2-diethyl-propanedinitrileSCHEMBL1343125AIEHSKCCVPIDNR-UHFFFAOYSA-N
Show more names
AURORA KA-4849Propanedinitrile, 2,2-diethyl-
MFCD01570048DB-025733
Database identifiers
- CAS
28118-33-4- PubChem CID
- 2777231
- DTXSID
DTXSID50380425- Nikkaji
- J1.127.720I
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 154
Physicochemical properties
- Melting point
- 44 °C · 44 °C
- Boiling point
- 53 °C · 53 °C(Press: 5 Torr)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
Related reactions
4 records
Compound notes
Loading…