Basic information
- CAS
6291-94-7- Standard SMILES
CCCCCCCCCCCCNCC#N- InChIKey
BHSZNPPPFMICJY-UHFFFAOYSA-N- Molecular formula
- C14H28N2
- Average molar mass
- 224.39 g/mol
- Monoisotopic mass
- 224.2252489
Names & identifiers
- Preferred name
- (Dodecylamino)acetonitrile
- IUPAC
- 2-(dodecylamino)acetonitrile
Names & synonyms
6291-94-7(dodecylamino)acetonitrileNSC8188dodecylaminoacetonitrileSCHEMBL7341567DTXSID70978707BHSZNPPPFMICJY-UHFFFAOYSA-NNSC-8188
Database identifiers
- CAS
6291-94-7- PubChem CID
- 222308
- DTXSID
DTXSID70978707
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 169
Related reactions
2 records
Compound notes
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