1-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-
Basic information
- CAS
205056-57-1- Standard SMILES
CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCCCCCCCCC- InChIKey
BPWMPFTZQZNNAH-UHFFFAOYSA-N- Molecular formula
- C38H80NO2+
- Average molar mass
- 583 g/mol
- Monoisotopic mass
- 582.61890579
Names & identifiers
- Preferred name
- 1-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-
- IUPAC
- 2,3-dihexadecoxypropyl(trimethyl)azanium
Names & synonyms
205056-57-11-Propanaminium, 2,3-bis(hexadecyloxy)-N,N,N-trimethyl-SCHEMBL10344073DTXSID002763092,3-Bis(hexadecyloxy)-N,N,N-trimethylpropan-1-aminium
Database identifiers
- CAS
205056-57-1- PubChem CID
- 128698
- DTXSID
DTXSID00276309- Nikkaji
- J1.894.900H
Properties
Computed structural properties
- XLogP
- 15.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 35
- Heavy atoms
- 41
- Formal charge
- 1
- Complexity
- 475
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Related reactions
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Compound notes
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