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2,2-Diphenylglycine
CAS: 3060-50-2 | C14H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3060-50-2
Molecular Formula:
C14H13NO2
Molecular Mass:
227.26 g/mol
Names and Synonyms:
2,2-Diphenylglycine
Benzeneacetic acid, α-amino-α-phenyl-
Glycine, 2,2-diphenyl-
α-Amino-α-phenylbenzeneacetic acid
2,2-Diphenylglycine
α-Aminodiphenylacetic acid
α,α-Diphenylglycine
2-Amino-2,2-diphenylacetic acid
NSC 33392
Amino(diphenyl)acetic acid
Identifiers:
SMILES:
NC(C(=O)O)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)
Key Properties
Melting Point
245 °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 | 227.26 g/mol | CAS Common Chemistry |
| 227.263 g/mol | RDKit | |
| 227.094628656 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=YBONNYNNFBAKLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245 °C | CAS Common Chemistry |
| Name | 2,2-Diphenylglycine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | 1.9734999999999998 | RDKit |
| Molar Refractivity | 65.48720000000003 | RDKit |
