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Phenylmethyl N-(2-Amino-2-Oxoethyl)Carbamate
CAS: 949-90-6 | C10H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
949-90-6
Molecular Formula:
C10H12N2O3
Molecular Mass:
208.22 g/mol
Names and Synonyms:
Phenylmethyl N-(2-Amino-2-Oxoethyl)Carbamate
Carbamic acid, N-(2-amino-2-oxoethyl)-, phenylmethyl ester
Carbamic acid, (carbamoylmethyl)-, benzyl ester
Carbamic acid, (2-amino-2-oxoethyl)-, phenylmethyl ester
Phenylmethyl N-(2-amino-2-oxoethyl)carbamate
Carbobenzoxyglycinamide
N-Benzyloxycarbonylglycinamide
Benzyloxycarbonylglycinamide
N-Benzyloxycarbonylglycine amide
NSC 88477
Cbz-glycinamide
Benzyl (2-amino-2-oxoethyl)carbamate
Identifiers:
SMILES:
N=C(O)CN=C(O)OCc1ccccc1
InChI:
InChI=1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
Key Properties
Melting Point
144 °C @ Solvent: Methanol
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 |
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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 | 208.22 g/mol | CAS Common Chemistry |
| 208.21699999999998 g/mol | RDKit | |
| 208.084792244 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)NCC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=HQYMUNCIMNFLDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | Phenylmethyl N-(2-amino-2-oxoethyl)carbamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 85.9 Ų | RDKit |
| LogP | 1.65247 | RDKit |
| Molar Refractivity | 56.51730000000002 | RDKit |
