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N-Phenylglycine
CAS: 103-01-5 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-01-5
Molecular Formula:
C8H9NO2
Molecular Weight:
151.165 g/mol
Names and Synonyms:
N-Phenylglycine
Glycine, N-phenyl-
N-Phenylglycine
Anilinoacetic acid
(Phenylamino)acetic acid
Acetic acid, (phenylamino)-
N-(Phenylamino)acetic acid
NSC 83567
NPG
2-(Phenylamino)acetic acid
2-Anilinoacetic acid
Identifiers:
SMILES:
O=C(O)CNc1ccccc1
InChI:
InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
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 |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Phenylglycine | Legacy Database | |
| cas-canonical-smile | O=C(O)CNC=1C=CC=CC1 | Legacy Database | |
| cas-inchi | InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=NPKSPKHJBVJUKB-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 127.5 °C | Legacy Database | |
| cas-name | N-Phenylglycine | Legacy Database | |
| wikipedia-name | N-Phenylglycine | Legacy Database | |
| LogP | 1.1831 | 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 | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 49.33 Ų | RDKit |
| Molar | Molar Refractivity | 42.56750000000002 | RDKit |
