Back to Search
Methyl Carbazate
CAS: 6294-89-9 | C2H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6294-89-9
Molecular Formula:
C2H6N2O2
Molecular Weight:
90.08200000000002 g/mol
Names and Synonyms:
Methyl Carbazate
Common Name
N-(Methoxycarbonyl)hydrazine
Synonym
NSC 11709
Synonym
Carbomethoxyhydrazine
Synonym
(Methoxycarbonyl)hydrazide
Synonym
Methyl carbazinate
Synonym
Methyl hydrazinecarboxylate
Synonym
(Methoxycarbonyl)hydrazine
Synonym
Carbomethoxyhydrazide
Synonym
Methyl hydrazinocarboxylate
Synonym
Methyl hydrazinoformate
Synonym
Methyl carbazate
Synonym
Carbazic acid, methyl ester
Synonym
Hydrazinecarboxylic acid, methyl ester
Synonym
Identifiers:
SMILES:
COC(O)=NN
InChI:
InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 90.08 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC)NN None | Legacy Database |
| cas-inchi | InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=WFJRIDQGVSJLLH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 73 °C None | Legacy Database |
| cas-name | Methyl carbazate None | Legacy Database |
| LogP | -0.5795000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.08200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.042927432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 67.84 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.2602 | RDKit |