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Lauroylsarcosine
CAS: 97-78-9 | C15H29NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-78-9
Molecular Formula:
C15H29NO3
Molecular Mass:
271.40 g/mol
Names and Synonyms:
Lauroylsarcosine
Glycine, N-methyl-N-(1-oxododecyl)-
Sarcosine, N-lauroyl-
N-Methyl-N-(1-oxododecyl)glycine
Lauroylsarcosine
N-Lauroylsarcosine
Sarkosyl L
N-Lauroyl-N-methylaminoacetic acid
Sarcosyl L
N-Laurylsarcosine
Hamposyl L
Maprosyl L
N-Dodecanoylsarcosine
Nikkol Sarcosinate LH
Crodasinic L
Sarcosinate LH
N-Dodecanoyl-N-methylglycine
N-Lauroyl-N-methylglycine
NSC 96994
N-Dodecanoylsarcosinate
Lauroylsarcosinate
Soypon SLA
2-(N-Methyldodecanamido)acetic acid
2-[Dodecanoyl(methyl)amino]acetic acid
Identifiers:
SMILES:
CCCCCCCCCCCC(=O)N(C)CC(=O)O
InChI:
InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19)
Key Properties
Melting Point
45-47 °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 | 271.40 g/mol | CAS Common Chemistry |
| 271.40099999999995 g/mol | RDKit | |
| 271.214743788 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(C(=O)CCCCCCCCCCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19/h3-13H2,1-2H3,(H,18,19) | CAS Common Chemistry |
| InChI Key | InChIKey=BACYUWVYYTXETD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45-47 °C | CAS Common Chemistry |
| Name | Lauroylsarcosine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| LogP | 3.4503000000000013 | RDKit |
| Molar Refractivity | 77.11680000000005 | RDKit |
