Back to Search
Glycine, 1,1′-Anhydride
CAS: 4202-74-8 | C4H8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4202-74-8
Molecular Formula:
C4H8N2O3
Molecular Mass:
132.12 g/mol
Names and Synonyms:
Glycine, 1,1′-Anhydride
Glycine, 1,1′-anhydride
Glycine, anhydride
Identifiers:
SMILES:
NCC(=O)OC(=O)CN
InChI:
InChI=1S/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2
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 | 132.12 g/mol | CAS Common Chemistry |
| 132.11899999999997 g/mol | RDKit | |
| 132.053492116 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(=O)CN)CN | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O3/c5-1-3(7)9-4(8)2-6/h1-2,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YTMCUIACOKRXQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycine, 1,1′-anhydride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.41000000000001 Ų | RDKit |
| LogP | -2.026399999999999 | RDKit |
| Molar Refractivity | 29.2078 | RDKit |
