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Molecule
2,2-Diphenylglycine
CAS: 3060-50-2 · C14H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3060-50-2
- Molecular Formula
- C14H13NO2
- Molecular Mass
- 227.26 g/mol
Identifiers
CAS Registry Number
3060-50-2
SMILES
NC(C(=O)O)(c1ccccc1)c1ccccc1
InChI Key
YBONNYNNFBAKLI-UHFFFAOYSA-N
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)
Names and Synonyms
- 2,2-Diphenylglycine Synonym
- Benzeneacetic acid, α-amino-α-phenyl- Synonym
- Glycine, 2,2-diphenyl- Synonym
- α-Amino-α-phenylbenzeneacetic acid Synonym
- 2,2-Diphenylglycine Synonym
- α-Aminodiphenylacetic acid Synonym
- α,α-Diphenylglycine Synonym
- 2-Amino-2,2-diphenylacetic acid Synonym
- NSC 33392 Synonym
- Amino(diphenyl)acetic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.26 g/mol | CAS Common Chemistry |
| 227.263 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 |
| 63.32 Ų | RDKit | |
| LogP | 1.9734999999999998 | RDKit |
| 1.9735 | RDKit | |
| 1.84 | chempirical lib | |
| Molar Refractivity | 65.48720000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 227.094628656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 227.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13NO2.
