1-dodecanaminium, n-(carboxymethyl)-n-dodecyl-n-methyl-, inner salt
Basic information
- CAS
25054-74-4- Standard SMILES
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CC(=O)[O-]- InChIKey
SENWRKVQPDECGF-UHFFFAOYSA-N- Molecular formula
- C27H55NO2
- Average molar mass
- 425.7 g/mol
- Monoisotopic mass
- 425.42328
Names & identifiers
- Preferred name
- 1-dodecanaminium, n-(carboxymethyl)-n-dodecyl-n-methyl-, inner salt
- IUPAC
- 2-[didodecyl(methyl)azaniumyl]acetate
Names & synonyms
Dilaurylmethylbetaine25054-74-41-Dodecanaminium, N-(carboxymethyl)-N-dodecyl-N-methyl-, inner saltEINECS 246-583-7DTXSID1067045RefChem:75635DTXCID3037204(Carboxylatomethyl)didodecylmethylammoniumSENWRKVQPDECGF-UHFFFAOYSA-N[Didodecyl(methyl)azaniumyl]acetate
Database identifiers
- CAS
25054-74-4- PubChem CID
- 90696
- DTXSID
DTXSID1067045- EC Number
- 246-583-7
- Nikkaji
- J236.037C
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 340
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Dodecanaminium, N-(carboxymethyl)-N-dodecyl-N-methyl-, inner salt: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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