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(Lauryldimethylammonio) Acetate

CAT: 0127-OR1008378-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0127-OR1008378-01Size:500 g
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CAS Number
683-10-3
MDL Number
MFCD00084742
Purity
30% in water
Smiles
O=C([O-])C[N+](C)(CCCCCCCCCCCC)C
Notes
30% in water

Chemical Information

Lauryldimethylbetaine

The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Lauryl Betaine...

CAS Number683-10-3
PubChem CID4292413
IUPAC Name2-[dodecyl(dimethyl)azaniumyl]acetate
Molecular FormulaC16H33NO2
Molecular Weight271.44
XLogP6.1
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count19
Formal Charge0
Complexity221
SMILES
CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
InChI
InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
InChIKey
DVEKCXOJTLDBFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lauryldimethylbetaine
CAS: 683-10-3
CID: 4292413
Formula: C16H33NO2
MW: 271.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.44
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass271.251129295
Monoisotopic Mass271.251129295
Topological Polar Surface Area40.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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