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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
N-(Methoxycarbonyl)hydrazine
NSC 11709
Carbomethoxyhydrazine
(Methoxycarbonyl)hydrazide
Methyl carbazinate
Methyl hydrazinecarboxylate
(Methoxycarbonyl)hydrazine
Carbomethoxyhydrazide
Methyl hydrazinocarboxylate
Methyl hydrazinoformate
Methyl carbazate
Carbazic acid, methyl ester
Hydrazinecarboxylic acid, methyl ester
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.5795000000000001 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.2602 | RDKit |
