Back to Search
Molecule
Tert-Butyl Carbazate
CAS: 870-46-2 · C5H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 870-46-2
- Molecular Formula
- C5H12N2O2
- Molecular Mass
- 132.16 g/mol
Identifiers
CAS Registry Number
870-46-2
SMILES
CC(C)(C)OC(O)=NN
InChI Key
DKACXUFSLUYRFU-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)
Names and Synonyms
- Tert-Butyl Carbazate Common Name
- Hydrazinecarboxylic acid, 1,1-dimethylethyl ester Synonym
- Carbazic acid, tert-butyl ester Synonym
- tert-Butyl carbazate Synonym
- (tert-Butoxycarbonyl)hydrazide Synonym
- (tert-Butyloxycarbonyl)hydrazide Synonym
- Hydrazinecarboxylic acid tert-butyl ester Synonym
- (tert-Butoxycarbonyl)hydrazine Synonym
- 1-(tert-Butoxycarbonyl)hydrazine Synonym
- 1,1-Dimethylethyl carbazate Synonym
- N-(tert-Butoxycarbonyl)hydrazine Synonym
- tert-Butyl hydrazinecarboxylate Synonym
- NSC 60250 Synonym
- Hydrazinecarboxylic acid tert-butyl ester Synonym
- N-Boc-hydrazine Synonym
- 1,1-Dimethylethyl hydrazinecarboxylate Synonym
- Boc-hydrazine Synonym
- tert-Butyl N-aminocarbamate Synonym
- tert-Butyl hydrazinoformate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.16 g/mol | CAS Common Chemistry |
| 132.16299999999998 g/mol | RDKit | |
| 132.163 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=DKACXUFSLUYRFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 124-125.5 °C @ Solvent: Benzene, Ligroine | CAS Common Chemistry |
| Name | tert-Butyl carbazate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | 0.5892 | RDKit |
| 0.6 | chempirical lib | |
| Molar Refractivity | 35.089199999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 132.089877624 g/mol | RDKit |
| Boiling Point | 76 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 132.16 g/mol. Edit any field — others recompute live.
