Basic information
- CAS
6281-50-1- Standard SMILES
CC(C)(C#N)NC1CCCCC1- InChIKey
BEZHOMANQFCBNG-UHFFFAOYSA-N- Molecular formula
- C10H18N2
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.14699858
Names & identifiers
- Preferred name
- Acetonitrile, 2-cyclohexylamino-2-dimethyl-
- IUPAC
- 2-(cyclohexylamino)-2-methylpropanenitrile
- English name
- 2-(Cyclohexylamino)-2-methylpropanenitrile
- Molecular formula
- C10H18N2
- Molecular weight
- 166.26
Names & synonyms
6281-50-1ACETONITRILE, 2-CYCLOHEXYLAMINO-2-DIMETHYL-NSC 5795Propanenitrile, 2-(cyclohexylamino)-2-methyl-BRN 26900682-Cyclohexylamino-2-dimethylacetonitrileDTXSID802119104-12-00-00078 (Beilstein Handbook Reference)RefChem:316853DTXCID10134401Propanenitrile, 2-(cyclohexylamino)-2-methyl-(9CI)2-(cyclohexylamino)-2-methylpropanenitrile
Show more names
NSC57952-cyano-2-cyclohexylaminopropaneWLN: L6TJ AMX1&1&CNNSC-5795AKOS0036154742-(Cyclohexylamino)-2-dimethylacetonitrile
Database identifiers
- CAS
6281-50-1- PubChem CID
- 22682
- DTXSID
DTXSID80211910- Nikkaji
- J54.998C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 52 · 52-53 °C
- Boiling point
- 290.2 · 290.2±13.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- pka
- 5.04 · 5.04±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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