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Molecule
D-Phenylglycine Methyl Ester Hydrochloride
CAS: 19883-41-1 · C9H12ClNO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19883-41-1
- Molecular Formula
- C9H12ClNO2
- Molecular Mass
- 201.65 g/mol
Identifiers
CAS Registry Number
19883-41-1
SMILES
COC(=O)[C@H](N)c1ccccc1.Cl
InChI Key
DTHMTBUWTGVEFG-DDWIOCJRSA-N
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1
Names and Synonyms
- D-Phenylglycine Methyl Ester Hydrochloride Common Name
- Benzeneacetic acid, α-amino-, methyl ester, hydrochloride (1:1), (αR)- Synonym
- Glycine, 2-phenyl-, methyl ester, hydrochloride, D- Synonym
- Benzeneacetic acid, α-amino-, methyl ester, hydrochloride, (R)- Synonym
- Benzeneacetic acid, α-amino-, methyl ester, hydrochloride, (αR)- Synonym
- Methyl D-phenylglycinate hydrochloride Synonym
- D-Phenylglycine methyl ester hydrochloride Synonym
- D-α-Aminophenylacetic acid methyl ester hydrochloride Synonym
- Methyl D-α-phenylglycine hydrochloride Synonym
- Methyl (R)-phenylglycinate hydrochloride Synonym
- (R)-Phenylglycine methyl ester hydrochloride Synonym
- Methyl D-α-phenylglycinate hydrochloride Synonym
- (R)-(-)-2-Phenylglycine methyl ester hydrochloride Synonym
- ((R)-2-Methoxy-2-oxo-1-phenylethyl)ammonium chloride Synonym
- (R)-Methyl 2-amino-2-phenylacetate hydrochloride Synonym
- Methyl (R)-amino(phenyl)acetate hydrochloride Synonym
- (R)-Methyl 2-amino-2-phenylacetate hydrochloride Synonym
- (R)-2-Phenylglycine methyl ester hydrochloride Synonym
- Methyl (R)-2-amino-2-phenylacetate hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.65 g/mol | CAS Common Chemistry |
| 201.65300000000002 g/mol | RDKit | |
| 201.653 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OC)C(N)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DTHMTBUWTGVEFG-DDWIOCJRSA-N | CAS Common Chemistry |
| Melting Point | 198-201 °C @ Solvent: Diethyl ether, Methanol | CAS Common Chemistry |
| Name | D-Phenylglycine methyl ester hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 1.2812 | RDKit |
| Molar Refractivity | 52.63440000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 201.055656304 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.
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MW = 201.65 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12ClNO2.
