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Sodium Methyl Oleoyl Taurate

CAS: 137-20-2 | C21H41NNaO4S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 137-20-2
Molecular Formula: C21H41NNaO4S
Molecular Weight: 426.6190000000001 g/mol

Names and Synonyms:

Sodium Methyl Oleoyl Taurate
Sodium oleoylmethyltaurinate
Adinol OT 72
Arkopon T Powder
Sodium N-oleoyl-N-methyltaurinate
N-Oleoyl-N-methyltaurine sodium salt
N-Methyl-N-oleyltaurine sodium salt
Hostapon TPHC
Sodium (oleylmethylamino)ethanesulfonate
Sodium 2-(N-methyl-N-oleylamino)ethanesulfonate
Sodium N-methyl-N-oleyltaurate
Sodium N-methyl-N-oleyltaurine
Sodium methyloleyltauride
Hostapon T Pow. H/C
Fenopon T 33
Geropon T 33
Tauranol ML
Igepon T 27
Geropon T 77
Sodium oleyl methyl taurate
Sodium methyl oleoyl taurate
Sodium N-methyl-N-oleoyltaurinate
Arkopon SN
Igepon T 73
Concogel 2 Conc
Nissan Diapion S
Adinol T
Sodium N-oleoyl-N-methyltaurate
Oleoylmethyltaurine sodium salt
Sodium N-methyl-N-oleoyl-2-aminoethanesulfonate
Sodium 2-(N-methyloleamido)ethane-1-sulfonate
Sodium oleylmethyltauride
Metaupon paste
Igepon T
Igepon TE
Igepon T 51
Igepon T 33
Hostapon T
Igepon T 77
Sodium N-oleoyl-N-methyltaurine
Sodium N-methyl-N-oleoyltaurate
OMT
N-Methyl-N-oleoyltaurine sodium salt
Igepon T 43
Ethanesulfonic acid, 2-[methyl[(9Z)-1-oxo-9-octadecenyl]amino]-, sodium salt
Ethanesulfonic acid, 2-[methyl(1-oxo-9-octadecenyl)amino]-, sodium salt, (Z)-
Taurine, N-methyl-N-oleoyl-, sodium salt
Ethanesulfonic acid, 2-[methyl[(9Z)-1-oxo-9-octadecen-1-yl]amino]-, sodium salt (1:1)

Identifiers:

SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)N(C)CCS(=O)(=O)O.[Na]
InChI:
InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/b11-10-;

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Physical Properties molecular_mass 426.62 g/mol Legacy Database
cas-canonical-smile [Na].O=C(N(C)CCS(=O)(=O)O)CCCCCCCC=CCCCCCCCC Legacy Database
cas-inchi InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/b11-10-; Legacy Database
cas-inchi-key InChIKey=FMFCYGMAIKQDEP-GMFCBQQYSA-N Legacy Database
cas-name Sodium methyl oleoyl taurate Legacy Database
LogP 4.9893000000000045 RDKit
Molecular Molecular Weight 426.6190000000001 g/mol RDKit
Exact Exact Molecular Weight 426.265399072 g/mol RDKit
Heavy Heavy Atom Count 28 count RDKit
Hydrogen Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit
Rotatable Rotatable Bonds 18 count RDKit
Aromatic Aromatic Ring Count 0 count RDKit
Topological Topological Polar Surface Area 74.68 Ų RDKit
Molar Molar Refractivity 119.2586000000001 RDKit

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