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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 426.62 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=C(N(C)CCS(=O)(=O)O)CCCCCCCC=CCCCCCCCC None | 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-; None | Legacy Database |
| cas-inchi-key | InChIKey=FMFCYGMAIKQDEP-GMFCBQQYSA-N None | Legacy Database |
| cas-name | Sodium methyl oleoyl taurate None | Legacy Database |
| LogP | 4.9893000000000045 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 426.6190000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 426.265399072 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 18 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.68 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 119.2586000000001 | RDKit |
