chempirical

Mirataine CB

C19H38N2O3CAS 86438-79-1342.52 g/mol

Open in Covalent MOL file
ONHN+OO−
AmideCarboxylic acidQuaternary ammonium

Properties

Molecular formula
C19H38N2O3
Molar mass
342.52 g/mol
Exact mass
342.2882 Da
logP
2.24Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
16

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
86438-79-1
SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
InChIKey
MRUAUOIMASANKQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)

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Names and synonyms

1 names
  • Lauramidopropylbetaine

Work with Mirataine CB

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lauramidopropylbetaine4292-10-8

Similar compounds

Lauryldimethylaminoacetic acid betaine683-10-368 % similar Calcium stearate1592-23-047 % similar Sodium caprate1002-62-643 % similar Manganese stearate1002-88-643 % similar Potassium laurate10124-65-943 % similar Lead stearate1072-35-143 % similar Sodium octanoate1984-06-143 % similar Cadmium stearate2223-93-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook