Back to Search
Benzeneacetic Acid, Α-Amino-, Ethyl Ester, Hydrochloride (1:1), (Αr)-
CAS: 17609-48-2 | C10H14ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17609-48-2
Molecular Formula:
C10H14ClNO2
Molecular Mass:
215.68 g/mol
Names and Synonyms:
Benzeneacetic Acid, Α-Amino-, Ethyl Ester, Hydrochloride (1:1), (Αr)-
Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αR)-
Glycine, 2-phenyl-, ethyl ester, monohydrochloride, D-(-)-
Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride, (R)-
Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride, (αR)-
Ethyl D-phenylglycinate hydrochloride
D-(-)-α-Phenylglycine ethyl ester hydrochloride
Ethyl D-(-)-α-phenylglycinate hydrochloride
(R)-Phenylglycine ethyl ester hydrochloride
D-α-Phenylglycine ethyl ester hydrochloride
D-Phenylglycine ethyl ester hydrochloride
(R)-(+)-Phenylglycine ethyl ester hydrochloride
Ethyl (2R)-2-amino-2-(phenyl)acetate hydrochloride
(R)-2-PhenyLglycine ethyl ester hydrochloride
Identifiers:
SMILES:
CCOC(=O)[C@H](N)c1ccccc1.Cl
InChI:
InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/t9-;/m1./s1
Key Properties
Melting Point
189-190 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.68 g/mol | CAS Common Chemistry |
| 215.68000000000004 g/mol | RDKit | |
| 215.071306368 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OCC)C(N)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H/t9-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FNNXQLSKQSVNLL-SBSPUUFOSA-N | CAS Common Chemistry |
| Melting Point | 189-190 °C | CAS Common Chemistry |
| Name | Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αR)- | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.32 Ų | RDKit |
| LogP | 1.6712999999999998 | RDKit |
| Molar Refractivity | 57.25140000000003 | RDKit |
