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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 Weight:
89.09399999999998 g/mol
Names and Synonyms:
Sarcosine
Common Name
N-Methylglycine
Synonym
Sarcosine
Synonym
Glycine, N-methyl-
Synonym
2-(Methylazaniumyl)acetate
Synonym
2-(Methylamino)acetic acid
Synonym
Methylglycine
Synonym
Sarcosin
Synonym
Sarcosinic acid
Synonym
(Methylamino)ethanoic acid
Synonym
N-Methylaminoacetic acid
Synonym
(Methylamino)acetic acid
Synonym
Acetic acid, (methylamino)-
Synonym
Identifiers:
SMILES:
CNCC(=O)O
InChI:
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.09399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.047678464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.33 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7096000000000002 | RDKit |
| molecular_mass | 89.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sarcosine None | Legacy Database |
| cas-canonical-smile | O=C(O)CNC None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=FSYKKLYZXJSNPZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 212.5 °C (decomp) None | Legacy Database |
| cas-name | Sarcosine None | Legacy Database |
| wikipedia-name | Sarcosine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.5625 | RDKit |