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Molecule
Sarcosine
CAS: 107-97-1 · C3H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-97-1
- Molecular Formula
- C3H7NO2
- Molecular Mass
- 89.09 g/mol
Identifiers
CAS Registry Number
107-97-1
SMILES
CNCC(=O)O
InChI Key
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Names and Synonyms
- Sarcosine Common Name
- Acetic acid, (methylamino)- Synonym
- (Methylamino)acetic acid Synonym
- N-Methylaminoacetic acid Synonym
- (Methylamino)ethanoic acid Synonym
- Sarcosinic acid Synonym
- Sarcosin Synonym
- Methylglycine Synonym
- 2-(Methylamino)acetic acid Synonym
- 2-(Methylazaniumyl)acetate Synonym
- Glycine, N-methyl- Synonym
- Sarcosine Synonym
- N-Methylglycine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.09 g/mol | CAS Common Chemistry |
| 89.09399999999998 g/mol | RDKit | |
| 89.094 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 |
| -0.7096 | RDKit | |
| Molar Refractivity | 21.5625 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 89.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 89.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO2.
