Basic information
- CAS
22912-25-0- Standard SMILES
N#CC1(N2CCCC2)CCCCC1- InChIKey
BFONNRLSLNCPJF-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 1-Pyrrolidinocyclohexanecarbonitrile
- IUPAC
- 1-pyrrolidin-1-ylcyclohexane-1-carbonitrile
- English name
- 1-(1-Cyanocyclohexyl)pyrrolidine
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27
Names & synonyms
Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-1-(1-Cyanocyclohexyl)pyrrolidine1-Pyrrolidinocyclohexanecarbonitrile65V9NIP0CLNSC 96906BRN 1367051NSC-96906UNII-65V9NIP0CL1-(1-Pyrrolidinyl)cyclohexanecarbonitrileDTXSID101774595-20-01-00358 (Beilstein Handbook Reference)RefChem:197103
Show more names
DTXCID4099950BFONNRLSLNCPJF-UHFFFAOYSA-N22912-25-0Cyclohexanecarbonitrile, 1-pyrrolidino-1-pyrrolidin-1-ylcyclohexane-1-carbonitrileNSC969061-(PYRROLIDIN-1-YL)CYCLOHEXANE-1-CARBONITRILESCHEMBL8510561
Database identifiers
- CAS
22912-25-0- PubChem CID
- 97013
- DTXSID
DTXSID10177459- UNII
- 65V9NIP0CL
- Nikkaji
- J34.002B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 96 · 96-98 °C(Press: 0.3 Torr)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 6.73 · 6.73±0.20(Predicted)
- FDA UNII
- 65 V9NIP0CL · 65V9NIP0CL
Chemistry & industry
Suppliers1 total
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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