Basic information
- CAS
1040408-01-2- Standard SMILES
CCCCCCCCC(=O)NCCC[N+](C)(C)O- InChIKey
BPQRICUAIBDFLR-UHFFFAOYSA-O- Molecular formula
- C14H31N2O2+
- Average molar mass
- 259.41 g/mol
- Monoisotopic mass
- 259.23855324
Names & identifiers
- Preferred name
- N-Hydroxy-N,N-dimethyl-3-[(1-oxononyl)amino]-1-propanaminium
- IUPAC
- hydroxy-dimethyl-[3-(nonanoylamino)propyl]azanium
Names & synonyms
DTXSID801025453N-Hydroxy-N,N-dimethyl-3-[(1-oxononyl)amino]-1-propanaminium1040408-01-2
Database identifiers
- CAS
1040408-01-2- PubChem CID
- 447666
- DTXSID
DTXSID801025453
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 1
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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