Basic information
- CAS
16728-52-2- Standard SMILES
N#CCCOC1CCCCC1- InChIKey
KIYRTZOGFLTVIC-UHFFFAOYSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.1153641
Names & identifiers
- Preferred name
- 3-(Cyclohexyloxy)propiononitrile
- IUPAC
- 3-cyclohexyloxypropanenitrile
- English name
- 3-(cyclohexyloxy)propiononitrile
- Molecular formula
- C9H15NO
- Molecular weight
- 153.22
Names & synonyms
3-(cyclohexyloxy)propanenitrile16728-52-23-(Cyclohexyloxy)propiononitrilePropanenitrile, 3-(cyclohexyloxy)-72BA2TW2QD3-cyclohexyloxy-propionitrileEINECS 240-791-1NSC-69067AI3-05764DTXSID90168264NSC 69067PROPIONITRILE, 3-(CYCLOHEXYLOXY)-
Show more names
.BETA.-(CYCLOHEXYLOXY)PROPIONITRILERefChem:92600DTXCID5090755BETA-(CYCLOHEXYLOXY)PROPIONITRILE240-791-13-cyclohexyloxypropanenitrileNSC69067UNII-72BA2TW2QD
Database identifiers
- CAS
16728-52-2- PubChem CID
- 85578
- DTXSID
DTXSID90168264- UNII
- 72BA2TW2QD
- EC Number
- 240-791-1
- Nikkaji
- J236.842K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- FDA UNII
- 72 BA2TW2QD · 72BA2TW2QD
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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