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Molecule
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 Mass
- 426.62 g/mol
Identifiers
CAS Registry Number
137-20-2
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)N(C)CCS(=O)(=O)O.[Na]
InChI Key
FMFCYGMAIKQDEP-GMFCBQQYSA-N
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-;
Names and Synonyms
- Sodium Methyl Oleoyl Taurate Common Name
- Ethanesulfonic acid, 2-[methyl[(9Z)-1-oxo-9-octadecen-1-yl]amino]-, sodium salt (1:1) Synonym
- Taurine, N-methyl-N-oleoyl-, sodium salt Synonym
- Ethanesulfonic acid, 2-[methyl(1-oxo-9-octadecenyl)amino]-, sodium salt, (Z)- Synonym
- Ethanesulfonic acid, 2-[methyl[(9Z)-1-oxo-9-octadecenyl]amino]-, sodium salt Synonym
- Igepon T 43 Synonym
- N-Methyl-N-oleoyltaurine sodium salt Synonym
- OMT Synonym
- Sodium N-methyl-N-oleoyltaurate Synonym
- Sodium N-oleoyl-N-methyltaurine Synonym
- Igepon T 77 Synonym
- Hostapon T Synonym
- Igepon T 33 Synonym
- Igepon T 51 Synonym
- Igepon TE Synonym
- Igepon T Synonym
- Metaupon paste Synonym
- Sodium oleylmethyltauride Synonym
- Sodium 2-(N-methyloleamido)ethane-1-sulfonate Synonym
- Sodium N-methyl-N-oleoyl-2-aminoethanesulfonate Synonym
- Oleoylmethyltaurine sodium salt Synonym
- Sodium N-oleoyl-N-methyltaurate Synonym
- Adinol T Synonym
- Nissan Diapion S Synonym
- Concogel 2 Conc Synonym
- Igepon T 73 Synonym
- Arkopon SN Synonym
- Sodium N-methyl-N-oleoyltaurinate Synonym
- Sodium methyl oleoyl taurate Synonym
- Sodium oleyl methyl taurate Synonym
- Geropon T 77 Synonym
- Igepon T 27 Synonym
- Tauranol ML Synonym
- Geropon T 33 Synonym
- Fenopon T 33 Synonym
- Hostapon T Pow. H/C Synonym
- Sodium methyloleyltauride Synonym
- Sodium N-methyl-N-oleyltaurine Synonym
- Sodium N-methyl-N-oleyltaurate Synonym
- Sodium 2-(N-methyl-N-oleylamino)ethanesulfonate Synonym
- Sodium (oleylmethylamino)ethanesulfonate Synonym
- Hostapon TPHC Synonym
- N-Methyl-N-oleyltaurine sodium salt Synonym
- N-Oleoyl-N-methyltaurine sodium salt Synonym
- Sodium N-oleoyl-N-methyltaurinate Synonym
- Arkopon T Powder Synonym
- Adinol OT 72 Synonym
- Sodium oleoylmethyltaurinate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.62 g/mol | CAS Common Chemistry |
| 426.6190000000001 g/mol | RDKit | |
| 426.619 g/mol | RDKit | |
| 427.62 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(N(C)CCS(=O)(=O)O)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| 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-; | CAS Common Chemistry |
| InChI Key | InChIKey=FMFCYGMAIKQDEP-GMFCBQQYSA-N | CAS Common Chemistry |
| Name | Sodium methyl oleoyl taurate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.68 Ų | RDKit |
| LogP | 4.9893000000000045 | RDKit |
| 4.9893 | RDKit | |
| Molar Refractivity | 119.2586000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 426.265399072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 426.62 g/mol. Edit any field — others recompute live.
