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Molecule
Glycine, N-Methyl-, Methyl Ester, Hydrochloride (1:1)
CAS: 13515-93-0 · C4H10ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13515-93-0
- Molecular Formula
- C4H10ClNO2
- Molecular Mass
- 139.58 g/mol
Identifiers
CAS Registry Number
13515-93-0
SMILES
CNCC(=O)OC.Cl
InChI Key
HQZMRJBVCVYVQA-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H
Names and Synonyms
- Glycine, N-Methyl-, Methyl Ester, Hydrochloride (1:1) Synonym
- Glycine, N-methyl-, methyl ester, hydrochloride (1:1) Synonym
- Sarcosine, methyl ester, hydrochloride Synonym
- Glycine, N-methyl-, methyl ester, hydrochloride Synonym
- Methyl sarcosinate hydrochloride Synonym
- N-Methylglycine methyl ester hydrochloride Synonym
- Methyl N-methylglycinate hydrochloride Synonym
- Methyl 2-(methylamino)acetate hydrochloride Synonym
- (Methylamino)acetic acid methyl ester hydrochloride Synonym
- Methyl methylglycinate hydrochloride Synonym
- (2-Methoxy-2-oxoethyl)(methyl)azanium chloride Synonym
- Sarcosine methyl ester hydrochloride salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.58 g/mol | CAS Common Chemistry |
| 139.582 g/mol | RDKit | |
| 139.579 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(OC)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HQZMRJBVCVYVQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycine, N-methyl-, methyl ester, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.33 Ų | RDKit |
| LogP | -0.1994000000000002 | RDKit |
| -0.1994 | RDKit | |
| Molar Refractivity | 33.19069999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 139.04000624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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6
5
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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.
External Resources
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MW = 139.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10ClNO2.
