Basic information
- CAS
2629-75-6- Standard SMILES
CCCCCCCCCCCCOC(=O)C[N+](C)(C)C.[Cl-]- InChIKey
KMMVUSKAKLWIGC-UHFFFAOYSA-M- Molecular formula
- C17H36ClNO2
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.2434571
Overview
RN given refers to chloride
Names & identifiers
- Preferred name
- Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-, chloride (1:1)
- IUPAC
- (2-dodecoxy-2-oxoethyl)-trimethylazanium chloride
- English name
- N-Dodecyloxycarboxymethyl-N,N,N-trimethylammonium
- Molecular formula
- C17H36NO2.Cl
- Molecular weight
- 321.93
Names & synonyms
2629-75-6Doc-tmaN-Dodecyloxycarboxymethyl-N,N,N-trimethylammoniumRefChem:921201Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-, chloride (1:1)Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-, chloride(2-dodecoxy-2-oxoethyl)-trimethylazanium;chlorideMLS000767384dodecyl 2-(trimethylamino)acetate, chlorideDodecyloxycarbonylmethyl-trimethyl-ammoniumSMR0004297152-(dodecyloxy)-N,N,N-trimethyl-2-oxoethanaminium chloride
Show more names
CHEMBL1609756NIOSH/BP3141300DTXSID50949152HMS2808B14SBB056676AKOS024353580BP31413000ST50979728
Database identifiers
- CAS
2629-75-6- PubChem CID
- 3036596
- DTXSID
DTXSID50949152- ChEMBL
CHEMBL1609756
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 115 · 115-117 °C(Solvent: Ethyl acetate)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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