carboxymethyl-dodecyl-dimethylazanium;N,N-dimethyldodecan-1-amine oxide
Basic information
- CAS
86903-77-7- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)CC(=O)O.CCCCCCCCCCCC[N+](C)(C)[O-]- InChIKey
KMCBHFNNVRCAAH-UHFFFAOYSA-O- Molecular formula
- C30H65N2O3+
- Average molar mass
- 501.8 g/mol
- Monoisotopic mass
- 501.49951894
Names & identifiers
- Preferred name
- carboxymethyl-dodecyl-dimethylazanium;N,N-dimethyldodecan-1-amine oxide
- IUPAC
- carboxymethyl-dodecyl-dimethylazanium;N,N-dimethyldodecan-1-amine oxide
Names & synonyms
SCHEMBL15532154carboxymethyl-dodecyl-dimethylazanium;N,N-dimethyldodecan-1-amine oxide
Database identifiers
- CAS
86903-77-7- PubChem CID
- 3086239
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 372
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Compound notes
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