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Molecule
Methyl Carbazate
CAS: 6294-89-9 · C2H6N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6294-89-9
- Molecular Formula
- C2H6N2O2
- Molecular Mass
- 90.08 g/mol
Identifiers
CAS Registry Number
6294-89-9
SMILES
COC(O)=NN
InChI Key
WFJRIDQGVSJLLH-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
Names and Synonyms
- Methyl Carbazate Common Name
- Hydrazinecarboxylic acid, methyl ester Synonym
- Carbazic acid, methyl ester Synonym
- Methyl carbazate Synonym
- Methyl hydrazinoformate Synonym
- Methyl hydrazinocarboxylate Synonym
- Carbomethoxyhydrazide Synonym
- (Methoxycarbonyl)hydrazine Synonym
- Methyl hydrazinecarboxylate Synonym
- Methyl carbazinate Synonym
- (Methoxycarbonyl)hydrazide Synonym
- Carbomethoxyhydrazine Synonym
- NSC 11709 Synonym
- N-(Methoxycarbonyl)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.08 g/mol | CAS Common Chemistry |
| 90.08200000000002 g/mol | RDKit | |
| 90.082 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)NN | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=WFJRIDQGVSJLLH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73 °C | CAS Common Chemistry |
| Name | Methyl carbazate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | -0.5795000000000001 | RDKit |
| -0.5795 | RDKit | |
| -0.57 | chempirical lib | |
| Molar Refractivity | 21.2602 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 90.042927432 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
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MW = 90.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H6N2O2.
