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D-Phenylglycine Amide
CAS: 6485-67-2 | C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6485-67-2
Molecular Formula:
C8H10N2O
Molecular Mass:
150.18 g/mol
Names and Synonyms:
D-Phenylglycine Amide
Benzeneacetamide, α-amino-, (αR)-
Acetamide, 2-amino-2-phenyl-, D-
Benzeneacetamide, α-amino-, (R)-
(αR)-α-Aminobenzeneacetamide
D-Phenylglycinamide
D-2-Phenylglycinamide
D-Phenylglycine amide
(R)-Phenylglycinamide
(R)-2-Aminophenylacetamide
(2R)-2-Amino-2-phenylethanamide
(R)-2-Amino-2-phenylacetamide
(R)-2-Phenylglycine amide
(2R)-2-Amino-2-phenylacetamide
Identifiers:
SMILES:
N=C(O)[C@H](N)c1ccccc1
InChI:
InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/m1/s1
Key Properties
Melting Point
239 °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 | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.07931294 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(N)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KIYRSYYOVDHSPG-SSDOTTSWSA-N | CAS Common Chemistry |
| Melting Point | 239 °C | CAS Common Chemistry |
| Name | D-Phenylglycine amide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.1 Ų | RDKit |
| LogP | 1.2216699999999998 | RDKit |
| Molar Refractivity | 43.72590000000001 | RDKit |
