Basic information
- CAS
65644-60-2- Standard SMILES
CCCCCCCCCCC(C)C#N- InChIKey
ADJWCDXUXUVWNV-UHFFFAOYSA-N- Molecular formula
- C13H25N
- Average molar mass
- 195.34 g/mol
- Monoisotopic mass
- 195.1986998
Names & identifiers
- Preferred name
- 2-Methyldodecanonitrile
- IUPAC
- 2-methyldodecanenitrile
- English name
- 2-methyldodecanonitrile
- Molecular formula
- C13H25N
- Molecular weight
- 195.34
Names & synonyms
2-Methyldodecanonitrile2-methyldodecanenitrile65644-60-2Dodecanenitrile, 2-methyl-2-cyanododecaneEINECS 265-850-9alpha-Methyldodecanenitrile8W9D5S8DPXSCHEMBL9787863SCHEMBL22207069DTXSID80984197NS00056700
Database identifiers
- CAS
65644-60-2- PubChem CID
- 103424
- DTXSID
DTXSID80984197- UNII
- 8W9D5S8DPX
- EC Number
- 265-850-9
- Nikkaji
- J127.422H
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- LogP
- 5.21 · 5.210 (est)
Chemistry & industry
Suppliers1 total
BOC Sciences[email protected]
Related reactions
5 records
Compound notes
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