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Molecule
Glycine, N-Methyl-, Hydrochloride (1:1)
CAS: 637-96-7 · C3H8ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 637-96-7
- Molecular Formula
- C3H8ClNO2
- Molecular Mass
- 125.55 g/mol
Identifiers
CAS Registry Number
637-96-7
SMILES
CNCC(=O)O.Cl
InChI Key
WVKIFIROCHIWAY-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H
Names and Synonyms
- Glycine, N-Methyl-, Hydrochloride (1:1) Systematic Name
- Glycine, N-methyl-, hydrochloride (1:1) Synonym
- Sarcosine, hydrochloride Synonym
- Glycine, N-methyl-, hydrochloride Synonym
- N-Methylglycine hydrochloride Synonym
- 2-(Methylamino)acetic acid hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 125.55 g/mol | CAS Common Chemistry |
| 125.55499999999998 g/mol | RDKit | |
| 125.555 g/mol | RDKit | |
| 125.552 g/mol | chempirical lib | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.48 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.O=C(O)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2.ClH/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);1H | CAS Common Chemistry |
| InChI Key | InChIKey=WVKIFIROCHIWAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | Glycine, N-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -0.2878000000000003 | RDKit |
| -0.2878 | RDKit | |
| Molar Refractivity | 28.810499999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 125.024356176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
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.
External Resources
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MW = 125.55 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8ClNO2.
