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Molecule
1,2-Diethyl 1,2-Hydrazinedicarboxylate
CAS: 4114-28-7 · C6H12N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4114-28-7
- Molecular Formula
- C6H12N2O4
- Molecular Mass
- 176.17 g/mol
Identifiers
CAS Registry Number
4114-28-7
SMILES
CCOC(O)=NN=C(O)OCC
InChI Key
JXMLAPZRDDWRRV-UHFFFAOYSA-N
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)
Names and Synonyms
- 1,2-Diethyl 1,2-Hydrazinedicarboxylate Systematic Name
- 1,2-Hydrazinedicarboxylic acid, 1,2-diethyl ester Synonym
- Bicarbamic acid, diethyl ester Synonym
- 1,2-Hydrazinedicarboxylic acid, diethyl ester Synonym
- 1,2-Diethyl 1,2-hydrazinedicarboxylate Synonym
- s-Dicarbethoxyhydrazine Synonym
- Diethyl bicarbamate Synonym
- Diethyl hydrazodicarboxylate Synonym
- Diethyl 1,2-hydrazinedicarboxylate Synonym
- 1,2-Bis(ethoxycarbonyl)hydrazine Synonym
- sym-Dicarbethoxyhydrazine Synonym
- 1,2-Dicarbethoxyhydrazine Synonym
- Ethyl hydrazoformate Synonym
- N,N′-Diethoxycarbonylhydrazine Synonym
- N,N′-Bis(ethoxycarbonyl)hydrazine Synonym
- NSC 122715 Synonym
- NSC 17295 Synonym
- NSC 227421 Synonym
- NSC 3002 Synonym
- Hydrazodicarboxylic acid diethyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.17 g/mol | CAS Common Chemistry |
| 176.172 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.324 g/cm3 @ -5 °C | 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 |
| 0.8024 | RDKit | |
| Molar Refractivity | 43.37960000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 176.079706864 g/mol | RDKit |
| Boiling Point | 180 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 176.17 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12N2O4.
