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Ethyl Carbazate
CAS: 4114-31-2 | C3H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4114-31-2
Molecular Formula:
C3H8N2O2
Molecular Mass:
104.11 g/mol
Names and Synonyms:
Ethyl Carbazate
Hydrazinecarboxylic acid, ethyl ester
Carbethoxyhydrazine
Monocarbethoxyhydrazine
N-(Carbethoxy)hydrazine
1-(Ethoxycarbonyl)hydrazine
Ethyl hydrazinocarboxylate
Ethyl hydrazinoformate
NSC 2277
NSC 52663
Carbazic acid, ethyl ester
1-Carbethoxyhydrazine
Ethyl carbazate
Ethyl carbazinate
Ethyl hydrazinecarboxylate
N-(Ethoxycarbonyl)hydrazine
(Ethoxycarbonyl)hydrazine
Ethoxycarbonyl hydrazide
Identifiers:
SMILES:
CCOC(O)=NN
InChI:
InChI=1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)
Key Properties
Boiling Point
93 °C @ Press: 9 Torr
CAS Common Chemistry
Melting Point
46 °C
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 |
|---|
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 | 104.11 g/mol | CAS Common Chemistry |
| 104.10900000000001 g/mol | RDKit | |
| 104.058577496 g/mol | RDKit | |
| Boiling Point | 93 °C @ Press: 9 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)NN | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=VYSYZMNJHYOXGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46 °C | CAS Common Chemistry |
| Name | Ethyl carbazate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | -0.1893999999999999 | RDKit |
| Molar Refractivity | 25.877199999999995 | RDKit |
