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Molecule
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
Identifiers
CAS Registry Number
16466-61-8
SMILES
CC(C)(C)OC(O)=NN=C(O)OC(C)(C)C
InChI Key
TYSZETYVESRFNT-UHFFFAOYSA-N
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)
Names and Synonyms
- 1,2-Bis(1,1-Dimethylethyl) 1,2-Hydrazinedicarboxylate Systematic Name
- 1,2-Hydrazinedicarboxylic acid, 1,2-bis(1,1-dimethylethyl) ester Synonym
- Bicarbamic acid, di-tert-butyl ester Synonym
- 1,2-Hydrazinedicarboxylic acid, bis(1,1-dimethylethyl) ester Synonym
- 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate Synonym
- Di-tert-butyl bicarbamate Synonym
- Di-tert-butyl hydrazodicarboxylate Synonym
- Di-tert-butyl 1,2-hydrazodicarboxylate Synonym
- DBADH2 Synonym
- N,N′-Di-Boc-hydrazine Synonym
- N,N′-Bis(tert-butoxycarbonyl)hydrazine Synonym
- Di-tert-butyl carbazate Synonym
- 1,2-Bis(tert-butoxycarbonyl)hydrazine Synonym
- Hydrazine-1,2-dicarboxylic acid di(tert-butyl) ester Synonym
- Di-tert-butyl hydrazodiformate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.28 g/mol | CAS Common Chemistry |
| 232.27999999999997 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 |
| 2.3596 | RDKit | |
| Molar Refractivity | 61.80360000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 232.14230712 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 232.28 g/mol. Edit any field — others recompute live.
