Basic information
- CAS
19424-34-1- Standard SMILES
CC(C)CCCC#N- InChIKey
CHWIKAJVZUSSML-UHFFFAOYSA-N- Molecular formula
- C7H13N
- Average molar mass
- 111.18 g/mol
- Monoisotopic mass
- 111.10479942
Names & identifiers
- Preferred name
- 5-Methylhexanenitrile
- IUPAC
- 5-methylhexanenitrile
- English name
- 5-METHYLHEXANENITRILE
- Molecular formula
- C7H13N
- Molecular weight
- 111.18
Names & synonyms
5-METHYLHEXANENITRILE19424-34-1Hexanenitrile, 5-methyl-4-Methylpentyl cyanideDTXSID00173046RefChem:103196DTXCID1095537CHWIKAJVZUSSML-UHFFFAOYSA-NHexanenitrile,5-methyl-IsohexylcyanidSCHEMBL127101SCHEMBL127102
Show more names
SCHEMBL491286SCHEMBL10011189SCHEMBL18550129AKOS010643846
Database identifiers
- CAS
19424-34-1- PubChem CID
- 29593
- DTXSID
DTXSID00173046- Nikkaji
- J121.706B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 85.8
Physicochemical properties
- Boiling point
- 170 · 170-172 °C
- Density
- 0.806 · 0.806±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
NARCHEM[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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