Basic information
- CAS
6250-73-3- Standard SMILES
CC(C)=CCCC(C)=CCC#N- InChIKey
FRTXHDQZMMZCOJ-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- 3,7-Nonadienenitrile, 4,8-dimethyl-
- IUPAC
- 4,8-dimethylnona-3,7-dienenitrile
Names & synonyms
3,7-Nonadienenitrile, 4,8-dimethyl-6250-73-3DTXSID6064163EINECS 228-371-6RefChem:91908DTXCID6043381SCHEMBL4307163NS00043905
Database identifiers
- CAS
6250-73-3- PubChem CID
- 111177
- DTXSID
DTXSID6064163- EC Number
- 228-371-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 3,7-Nonadienenitrile, 4,8-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3,7-Nonadienenitrile, 4,8-dimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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