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Sarcosine
CAS: 107-97-1 | C3H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-97-1
Molecular Formula:
C3H7NO2
Molecular Mass:
89.09 g/mol
Names and Synonyms:
Sarcosine
Acetic acid, (methylamino)-
(Methylamino)acetic acid
N-Methylaminoacetic acid
(Methylamino)ethanoic acid
Sarcosinic acid
Sarcosin
Methylglycine
2-(Methylamino)acetic acid
2-(Methylazaniumyl)acetate
Glycine, N-methyl-
Sarcosine
N-Methylglycine
Identifiers:
SMILES:
CNCC(=O)O
InChI:
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Key Properties
Melting Point
212.5 °C (decomp)
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 | 89.09 g/mol | CAS Common Chemistry |
| 89.09399999999998 g/mol | RDKit | |
| 89.047678464 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sarcosine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=FSYKKLYZXJSNPZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 212.5 °C (decomp) | CAS Common Chemistry |
| Name | Sarcosine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.33 Ų | RDKit |
| LogP | -0.7096000000000002 | RDKit |
| Molar Refractivity | 21.5625 | RDKit |
