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L-Phenylglycine
CAS: 2935-35-5 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2935-35-5
Molecular Formula:
C8H9NO2
Molecular Weight:
151.165 g/mol
Names and Synonyms:
L-Phenylglycine
Benzeneacetic acid, α-amino-, (αS)-
Glycine, 2-phenyl-, L-
Benzeneacetic acid, α-amino-, (S)-
(αS)-α-Aminobenzeneacetic acid
L-Phenylglycine
L-2-Phenylglycine
L-(+)-2-Phenylglycine
L-α-Phenylglycine
L-(+)-α-Aminophenylacetic acid
(S)-Phenylglycine
(S)-α-Aminobenzeneacetic acid
L-(+)-Phenylglycine
(S)-(+)-Phenylglycine
(+)-Phenylglycine
L-α-Aminophenylacetic acid
(S)-(+)-2-Phenylglycine
S-(+)-α-Phenylglycine
(S)-Amino(phenyl)acetic acid
NSC 206293
(S)-2-Amino-2-(phenyl)ethanoic acid
L(+)-α-Phenylglycine
(S)-2-Amino-2-(phenyl)acetic acid
(2S)-2-Azaniumyl-2-phenylacetate
(2S)-2-Amino-2-phenylacetic acid
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-/m0/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 |
|---|---|---|---|
| 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 |
| Physical Properties | LogP | 0.7709999999999999 | RDKit |
| cas-name | L-Phenylglycine | Legacy Database | |
| 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-/m0/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=ZGUNAGUHMKGQNY-ZETCQYMHSA-N | Legacy Database | |
| cas-melting-point | 225-228 °C | Legacy Database | |
| Molar | Molar Refractivity | 41.00620000000002 | RDKit |
