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N-Oleoylsarcosine
CAS: 110-25-8 | C21H39NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-25-8
Molecular Formula:
C21H39NO3
Molecular Mass:
353.55 g/mol
Names and Synonyms:
N-Oleoylsarcosine
Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-
Sarcosine, N-oleoyl-
Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, (Z)-
Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecenyl]-
N-Methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]glycine
Sarkosyl O
N-Oleoylsarcosine
Oleoylsarcosine
Medialanic acid
Oleic sarcosine
Hamposyl O
Oleoyl N-methylaminoacetic acid
Oleyl methylaminoethanoic acid
Oleyl N-methylglycine
Maprosyl O
N-Oleylsarcosine
Nikkol Sarcosinate OH
Cordesin O
Sarcosinate VH
Nikkol Sarcosinate VH
221P
Sarcosinate OH
Oleic sarcoside
Perlastan OCV
N-Oleoyl sarcosinate
Crodasinic O
Esleam 221P
2-(N-Methyloleamido)acetic acid
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)N(C)CC(=O)O
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-
Key Properties
Melting Point
16.1-17.0 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.55 g/mol | CAS Common Chemistry |
| 353.547 g/mol | RDKit | |
| 353.29299410799996 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 |
| LogP | 5.566900000000005 | RDKit |
| Molar Refractivity | 104.72480000000007 | RDKit |
