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(-)-Phenylglycine
CAS: 875-74-1 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
875-74-1
Molecular Formula:
C8H9NO2
Molecular Weight:
151.165 g/mol
Names and Synonyms:
(-)-Phenylglycine
(2R)-2-Amino-2-phenylacetic acid
(2R)-2-Azaniumyl-2-phenylacetate
(R)-2-Phenyl-2-aminoethanoic acid
(2R)-Amino-2-phenylethanoic acid
(R)-2-Amino-2-phenylethanoic acid
(R)-2-Phenylglycine
(R)-2-Amino-2-phenylacetic acid
(R)-(-)-2-Phenylglycine
(R)-Phenylglycine
(-)-Phenylglycine
(R)-Phenylglycine
(R)-2-Phenylglycine
D-C-Phenylglycine
(-)-(R)-Phenylglycine
D-2-Phenylglycine
D-Phenylglycine
D-(-)-Phenylglycine
D-α-Phenylglycine
D-(-)-α-Phenylglycine
(R)-α-Phenylglycine
D-(-)-α-Aminophenylacetic acid
D-(-)-Aminophenylacetic acid
D-(-)-2-Phenylglycine
D-α-Aminophenylacetic acid
(αR)-α-Aminobenzeneacetic acid
Benzeneacetic acid, α-amino-, (R)-
Glycine, 2-phenyl-, D-
Benzeneacetic acid, α-amino-, (αR)-
Identifiers:
SMILES:
N[C@@H](C(=O)O)c1ccccc1
InChI:
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 151.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)C=1C=CC=CC1 | Legacy Database | |
| cas-inchi | InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=ZGUNAGUHMKGQNY-SSDOTTSWSA-N | Legacy Database | |
| cas-melting-point | 300-301 °C | Legacy Database | |
| cas-name | (-)-Phenylglycine | Legacy Database | |
| LogP | 0.7709999999999999 | RDKit | |
| Molecular | Molecular Weight | 151.165 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.063328528 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| Molar | Molar Refractivity | 41.00620000000002 | RDKit |
