Basic information
- CAS
4823-13-6- Standard SMILES
N#CCN(CC#N)C1CCCCC1- InChIKey
STOVQBQVJIJSJJ-UHFFFAOYSA-N- Molecular formula
- C10H15N3
- Average molar mass
- 177.25 g/mol
- Monoisotopic mass
- 177.12659749
Names & identifiers
- Preferred name
- Acetonitrile, (cyclohexylimino)di-
- IUPAC
- 2-[cyanomethyl(cyclohexyl)amino]acetonitrile
- English name
- Cyclohexyliminobis(acetonitrile)
- Molecular formula
- C10H15N3
- Molecular weight
- 177.25
Names & synonyms
ACETONITRILE, 2,2'-(CYCLOHEXYLIMINO)DI-Acetonitrile, (cyclohexylimino)di-2,2'-(Cyclohexylimino)diacetonitrileNG0SU4I8XGNSC 6404BRN 2089112NSC-6404UNII-NG0SU4I8XGDTXSID201974662,2'-(CYCLOHEXYLIMINO)BIS(ACETONITRILE)RefChem:109006DTXCID30119957
Show more names
Cyclohexyliminobis(acetonitrile)Acetonitrile, 2,2'-(cyclohexylimino)bis-
Acetonitrile, (cyclohexylimino)di-(8CI)4823-13-62-[cyanomethyl(cyclohexyl)amino]acetonitrileNSC6404WLN: L6TJ AN1CN&1CNAcetonitrile,2'-(cyclohexylimino)di-2,2'-(Cyclohexylazanediyl)diacetonitrile
Database identifiers
- CAS
4823-13-6- PubChem CID
- 20962
- DTXSID
DTXSID20197466- UNII
- NG0SU4I8XG
- Nikkaji
- J54.999A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- FDA UNII
- 0 SU4I8XG · NG0SU4I8XG
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…