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Dl-Phenylglycine
CAS: 69-91-0 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69-91-0
Molecular Formula:
C8H9NO2
Molecular Mass:
151.17 g/mol
Names and Synonyms:
Dl-Phenylglycine
Benzeneacetic acid, α-amino-
Glycine, 2-phenyl-, DL-
Benzeneacetic acid, α-amino-, (±)-
α-Aminobenzeneacetic acid
DL-α-Aminophenylacetic acid
DL-2-Phenylglycine
DL-α-Phenylglycine
(±)-α-Phenylglycine
(±)-Phenylglycine
(RS)-2-Phenylglycine
DL-Phenylglycine
α-Aminophenylacetic acid
α-Phenylglycine
2-Phenylglycine
2-Amino-2-phenylacetic acid
C-Phenylglycine
2-Amino-2-phenylethanoic acid
NSC 24619
NSC 32070
NSC 7928
Identifiers:
SMILES:
NC(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)
Key Properties
Melting Point
290 °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 | 151.17 g/mol | CAS Common Chemistry |
| 151.165 g/mol | RDKit | |
| 151.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=ZGUNAGUHMKGQNY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 290 °C | CAS Common Chemistry |
| Name | DL-Phenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 0.7709999999999999 | RDKit |
| Molar Refractivity | 41.00620000000002 | RDKit |
