Back to Search
Molecule
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
Identifiers
CAS Registry Number
17609-48-2
SMILES
CCOC(=O)[C@H](N)c1ccccc1.Cl
InChI Key
FNNXQLSKQSVNLL-SBSPUUFOSA-N
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
Names and Synonyms
- Benzeneacetic Acid, Α-Amino-, Ethyl Ester, Hydrochloride (1:1), (Αr)- Synonym
- Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride (1:1), (αR)- Synonym
- Glycine, 2-phenyl-, ethyl ester, monohydrochloride, D-(-)- Synonym
- Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride, (R)- Synonym
- Benzeneacetic acid, α-amino-, ethyl ester, hydrochloride, (αR)- Synonym
- Ethyl D-phenylglycinate hydrochloride Synonym
- D-(-)-α-Phenylglycine ethyl ester hydrochloride Synonym
- Ethyl D-(-)-α-phenylglycinate hydrochloride Synonym
- (R)-Phenylglycine ethyl ester hydrochloride Synonym
- D-α-Phenylglycine ethyl ester hydrochloride Synonym
- D-Phenylglycine ethyl ester hydrochloride Synonym
- (R)-(+)-Phenylglycine ethyl ester hydrochloride Synonym
- Ethyl (2R)-2-amino-2-(phenyl)acetate hydrochloride Synonym
- (R)-2-PhenyLglycine ethyl ester hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.68 g/mol | CAS Common Chemistry |
| 215.68000000000004 g/mol | RDKit | |
| 215.677 g/mol | chempirical lib | |
| 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 |
| 1.6713 | RDKit | |
| Molar Refractivity | 57.25140000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 215.071306368 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.
External Resources
Convert
Quick conversion
MW = 215.68 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14ClNO2.
Benzenebutanoic acid, β-amino-, hydrochloride (1:1), (βS)-
CAS 138165-77-2
D-Phenylalanine, methyl ester, hydrochloride (1:1)
CAS 13033-84-6
Benzyl L-alaninate hydrochloride
CAS 5557-83-5
Phenylalanine, Methyl Ester, Hydrochloride (1:1)
CAS 5619-07-8
L-Phenylalanine, methyl ester, hydrochloride (1:1)
CAS 7524-50-7
2,2′-[(3-Chlorophenyl)Imino]Bis[Ethanol]
CAS 92-00-2
