4-Pentenenitrile, 2,2-diethyl-
Basic information
- CAS
59346-54-2- Standard SMILES
C=CCC(C#N)(CC)CC- InChIKey
GBWKBEIKORAGLS-UHFFFAOYSA-N- Molecular formula
- C9H15N
- Average molar mass
- 137.22 g/mol
- Monoisotopic mass
- 137.12044948
Names & identifiers
- Preferred name
- 4-Pentenenitrile, 2,2-diethyl-
- IUPAC
- 2,2-diethylpent-4-enenitrile
- English name
- 2,2-diethylpent-4-enenitrile
- Molecular formula
- C9H15N
- Molecular weight
- 137.22
Names & synonyms
4-Pentenenitrile, 2,2-diethyl-RefChem:5262472,2-Diethylpent-4-enenitrile59346-54-2EINECS 261-712-72,2-Diethyl-4-pentenenitrileAllyldiethylacetonitrileQ769WG75KKSCHEMBL11331326DTXSID90208093GBWKBEIKORAGLS-UHFFFAOYSA-NDB-250813
Show more names
NS00034138
Database identifiers
- CAS
59346-54-2- PubChem CID
- 101020
- DTXSID
DTXSID90208093- UNII
- Q769WG75KK
- EC Number
- 261-712-7
- Nikkaji
- J308.669K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
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: 4-Pentenenitrile, 2,2-diethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
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Compound notes
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