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Molecule
N-Oleoylsarcosine
CAS: 110-25-8 · C21H39NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-25-8
- Molecular Formula
- C21H39NO3
- Molecular Mass
- 353.55 g/mol
Identifiers
CAS Registry Number
110-25-8
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)N(C)CC(=O)O
InChI Key
DIOYAVUHUXAUPX-KHPPLWFESA-N
InChI
InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10-
Names and Synonyms
- N-Oleoylsarcosine Synonym
- Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]- Synonym
- Sarcosine, N-oleoyl- Synonym
- Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, (Z)- Synonym
- Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]- Synonym
- N-Methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]glycine Synonym
- Sarkosyl O Synonym
- N-Oleoylsarcosine Synonym
- Oleoylsarcosine Synonym
- Medialanic acid Synonym
- Oleic sarcosine Synonym
- Hamposyl O Synonym
- Oleoyl N-methylaminoacetic acid Synonym
- Oleyl methylaminoethanoic acid Synonym
- Oleyl N-methylglycine Synonym
- Maprosyl O Synonym
- N-Oleylsarcosine Synonym
- Nikkol Sarcosinate OH Synonym
- Cordesin O Synonym
- Sarcosinate VH Synonym
- Nikkol Sarcosinate VH Synonym
- 221P Synonym
- Sarcosinate OH Synonym
- Oleic sarcoside Synonym
- Perlastan OCV Synonym
- N-Oleoyl sarcosinate Synonym
- Crodasinic O Synonym
- Esleam 221P Synonym
- 2-(N-Methyloleamido)acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.55 g/mol | CAS Common Chemistry |
| 353.547 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Oleoylsarcosine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(C(=O)CCCCCCCC=CCCCCCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10- | CAS Common Chemistry |
| InChI Key | InChIKey=DIOYAVUHUXAUPX-KHPPLWFESA-N | CAS Common Chemistry |
| Melting Point | 16.1-17.0 °C | CAS Common Chemistry |
| Name | Oleoylsarcosine | CAS Common Chemistry |
| N-Oleoylsarcosine | CAS Common Chemistry | |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| 57.38 Ų | chempirical lib | |
| LogP | 5.566900000000005 | RDKit |
| 5.5669 | RDKit | |
| Molar Refractivity | 104.72480000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8095 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 353.29299410799996 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.
External Resources
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MW = 353.55 g/mol. Edit any field — others recompute live.
