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Molecule
Lauroylsarcosine
CAS: 97-78-9 · C15H29NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 97-78-9
- Molecular Formula
- C15H29NO3
- Molecular Mass
- 271.40 g/mol
Identifiers
CAS Registry Number
97-78-9
SMILES
CCCCCCCCCCCC(=O)N(C)CC(=O)O
InChI Key
BACYUWVYYTXETD-UHFFFAOYSA-N
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)
Names and Synonyms
- Lauroylsarcosine Synonym
- Glycine, N-methyl-N-(1-oxododecyl)- Synonym
- Sarcosine, N-lauroyl- Synonym
- N-Methyl-N-(1-oxododecyl)glycine Synonym
- Lauroylsarcosine Synonym
- N-Lauroylsarcosine Synonym
- Sarkosyl L Synonym
- N-Lauroyl-N-methylaminoacetic acid Synonym
- Sarcosyl L Synonym
- N-Laurylsarcosine Synonym
- Hamposyl L Synonym
- Maprosyl L Synonym
- N-Dodecanoylsarcosine Synonym
- Nikkol Sarcosinate LH Synonym
- Crodasinic L Synonym
- Sarcosinate LH Synonym
- N-Dodecanoyl-N-methylglycine Synonym
- N-Lauroyl-N-methylglycine Synonym
- NSC 96994 Synonym
- N-Dodecanoylsarcosinate Synonym
- Lauroylsarcosinate Synonym
- Soypon SLA Synonym
- 2-(N-Methyldodecanamido)acetic acid Synonym
- 2-[Dodecanoyl(methyl)amino]acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.40 g/mol | CAS Common Chemistry |
| 271.40099999999995 g/mol | RDKit | |
| 271.401 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 |
| 57.38 Ų | chempirical lib | |
| LogP | 3.4503000000000013 | RDKit |
| 3.4503 | RDKit | |
| Molar Refractivity | 77.11680000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8667 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 271.214743788 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 271.40 g/mol. Edit any field — others recompute live.
