N-Methyl-N,N-dioctadecyloctadecan-1-aminium chloride
Basic information
- CAS
13513-77-4- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[Cl-]- InChIKey
ZZCLRNYEHBHMOZ-UHFFFAOYSA-M- Molecular formula
- C55H114ClN
- Average molar mass
- 825 g/mol
- Monoisotopic mass
- 823.8639803
Names & identifiers
- Preferred name
- N-Methyl-N,N-dioctadecyloctadecan-1-aminium chloride
- IUPAC
- methyl(trioctadecyl)azanium chloride
- English name
- N-methyl-N,N-dioctadecyl-1-Octadecanaminium chloride
- Molecular formula
- C55H114ClN
- Molecular weight
- 824.95336
Names & synonyms
13513-77-4N-Methyl-N,N-dioctadecyloctadecan-1-aminium chloridemethyl(trioctadecyl)azanium;chloride1-Octadecanaminium, N-methyl-N,N-dioctadecyl-, chlorideN-methyl-N,N-dioctadecyl-1-Octadecanaminium chlorideSCHEMBL6376290DTXSID50551799DA-17501Tri(octyl/decyl)methyl ammioum chlorideTri(octyl/decyl) methyl ammonium Chloride
Database identifiers
- CAS
13513-77-4- PubChem CID
- 13879751
- DTXSID
DTXSID50551799- EC Number
- 603-897-2
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 51
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 582
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Compound notes
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