Isobutylmalononitrile
Basic information
- CAS
30963-89-4- Standard SMILES
CC(C)CC(C#N)C#N- InChIKey
OZIRUVADHRKHPZ-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439833
Names & identifiers
- Preferred name
- Isobutylmalononitrile
- IUPAC
- 2-(2-methylpropyl)propanedinitrile
- English name
- Isobutylmalononitrile
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
Isobutylmalononitrile2-(2-methylpropyl)propanedinitrile30963-89-4SCHEMBL1341856(2-Methylpropyl)propanedinitrileDTXSID30704549AKOS006293327DB-082982(2-Methylpropyl)malonodinitrilePropanedinitrile, 2-(2-methylpropyl)-
Database identifiers
- CAS
30963-89-4- PubChem CID
- 53485367
- DTXSID
DTXSID30704549- Nikkaji
- J2.952.073I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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