Back to Search
1,2-Diethyl 1,2-Hydrazinedicarboxylate
CAS: 4114-28-7 | C6H12N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4114-28-7
Molecular Formula:
C6H12N2O4
Molecular Mass:
176.17 g/mol
Names and Synonyms:
1,2-Diethyl 1,2-Hydrazinedicarboxylate
1,2-Hydrazinedicarboxylic acid, 1,2-diethyl ester
Bicarbamic acid, diethyl ester
1,2-Hydrazinedicarboxylic acid, diethyl ester
1,2-Diethyl 1,2-hydrazinedicarboxylate
s-Dicarbethoxyhydrazine
Diethyl bicarbamate
Diethyl hydrazodicarboxylate
Diethyl 1,2-hydrazinedicarboxylate
1,2-Bis(ethoxycarbonyl)hydrazine
sym-Dicarbethoxyhydrazine
1,2-Dicarbethoxyhydrazine
Ethyl hydrazoformate
N,N′-Diethoxycarbonylhydrazine
N,N′-Bis(ethoxycarbonyl)hydrazine
NSC 122715
NSC 17295
NSC 227421
NSC 3002
Hydrazodicarboxylic acid diethyl ester
Identifiers:
SMILES:
CCOC(O)=NN=C(O)OCC
InChI:
InChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
Key Properties
Boiling Point
180 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
135 °C
CAS Common Chemistry
Density
1.32 g/cm³
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 | 176.17 g/mol | CAS Common Chemistry |
| 176.172 g/mol | RDKit | |
| 176.079706864 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.324 g/cm3 @ Temp: -5 °C | CAS Common Chemistry | |
| Boiling Point | 180 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)NNC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=JXMLAPZRDDWRRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Name | 1,2-Diethyl 1,2-hydrazinedicarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.64 Ų | RDKit |
| LogP | 0.8023999999999999 | RDKit |
| Molar Refractivity | 43.37960000000001 | RDKit |
