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1,2-Bis(1,1-Dimethylethyl) 1,2-Hydrazinedicarboxylate
CAS: 16466-61-8 | C10H20N2O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
16466-61-8
Molecular Formula:
C10H20N2O4
Molecular Mass:
232.28 g/mol
Names and Synonyms:
1,2-Bis(1,1-Dimethylethyl) 1,2-Hydrazinedicarboxylate
1,2-Hydrazinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester
Bicarbamic acid, di-tert-butyl ester
1,2-Hydrazinedicarboxylic acid, bis(1,1-dimethylethyl) ester
1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate
Di-tert-butyl bicarbamate
Di-tert-butyl hydrazodicarboxylate
Di-tert-butyl 1,2-hydrazodicarboxylate
DBADH2
N,N′-Di-Boc-hydrazine
N,N′-Bis(tert-butoxycarbonyl)hydrazine
Di-tert-butyl carbazate
1,2-Bis(tert-butoxycarbonyl)hydrazine
Hydrazine-1,2-dicarboxylic acid di(tert-butyl) ester
Di-tert-butyl hydrazodiformate
Identifiers:
SMILES:
CC(C)(C)OC(O)=NN=C(O)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
Key Properties
Melting Point
120-122 °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 | 232.28 g/mol | CAS Common Chemistry |
| 232.27999999999997 g/mol | RDKit | |
| 232.14230712 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NNC(=O)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=TYSZETYVESRFNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-122 °C | CAS Common Chemistry |
| Name | 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.64 Ų | RDKit |
| LogP | 2.3596000000000004 | RDKit |
| Molar Refractivity | 61.80360000000004 | RDKit |
