3-(2-Ethylbutoxy)propanenitrile
Basic information
- CAS
10232-91-4- Standard SMILES
CCC(CC)COCCC#N- InChIKey
HHTFLOIAOFXJDD-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 3-(2-Ethylbutoxy)propanenitrile
- IUPAC
- 3-(2-ethylbutoxy)propanenitrile
- English name
- 3-(2-ethylbutoxy)propiononitrile
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
3-(2-ethylbutoxy)propanenitrile10232-91-4Propionitrile, 3-(2-ethylbutoxy)-DTXSID10144904RefChem:1066525DTXCID0067395233-555-43-(2-Ethylbutoxy)propiononitrileEINECS 233-555-43-(2-Ethylbutoxy)propionitrile3-(2-Ethylbutoxy)propannitril [Czech]3-(2-Ethylbutoxy)propannitril
Show more names
Propanenitrile, 3-(2-ethylbutoxy)-HHTFLOIAOFXJDD-UHFFFAOYSA-NNS00023137
Database identifiers
- CAS
10232-91-4- PubChem CID
- 82476
- DTXSID
DTXSID10144904- EC Number
- 233-555-4
- Nikkaji
- J35.377I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 279.06 °C · 279.06°C (rough estimate)
- Density
- 0.9796 · 0.9796 (rough estimate)
- refractive index
- 1.4376 · 1.4376 (estimate)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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