3-Dodecanamido-N,N,N-trimethylpropan-1-aminium
Basic information
- CAS
45260-21-7- Standard SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C- InChIKey
YBZZUKKRRGVYQU-UHFFFAOYSA-O- Molecular formula
- C18H39N2O+
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.30623887
Names & identifiers
- Preferred name
- 3-Dodecanamido-N,N,N-trimethylpropan-1-aminium
- IUPAC
- 3-(dodecanoylamino)propyl-trimethylazanium
Names & synonyms
SCHEMBL6233621DTXSID90864294YBZZUKKRRGVYQU-UHFFFAOYSA-O45260-21-7NS000077993-Dodecanamido-N,N,N-trimethylpropan-1-aminium3-(dodecanoylamino)-N,N,N-trimethylpropan-1-aminium
Database identifiers
- CAS
45260-21-7- PubChem CID
- 160948
- DTXSID
DTXSID90864294- Nikkaji
- J36.593I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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