Back to Search
Molecule
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
Identifiers
CAS Registry Number
6485-67-2
SMILES
N=C(O)[C@H](N)c1ccccc1
InChI Key
KIYRSYYOVDHSPG-SSDOTTSWSA-N
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
Names and Synonyms
- D-Phenylglycine Amide Synonym
- Benzeneacetamide, α-amino-, (αR)- Synonym
- Acetamide, 2-amino-2-phenyl-, D- Synonym
- Benzeneacetamide, α-amino-, (R)- Synonym
- (αR)-α-Aminobenzeneacetamide Synonym
- D-Phenylglycinamide Synonym
- D-2-Phenylglycinamide Synonym
- D-Phenylglycine amide Synonym
- (R)-Phenylglycinamide Synonym
- (R)-2-Aminophenylacetamide Synonym
- (2R)-2-Amino-2-phenylethanamide Synonym
- (R)-2-Amino-2-phenylacetamide Synonym
- (R)-2-Phenylglycine amide Synonym
- (2R)-2-Amino-2-phenylacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.181 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 |
| 1.2217 | RDKit | |
| Molar Refractivity | 43.72590000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 150.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
