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1,1-Dimethylethyl 2-(1-Methylethyl)Hydrazinecarboxylate
CAS: 16689-35-3 | C8H18N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16689-35-3
Molecular Formula:
C8H18N2O2
Molecular Mass:
174.24 g/mol
Names and Synonyms:
1,1-Dimethylethyl 2-(1-Methylethyl)Hydrazinecarboxylate
Hydrazinecarboxylic acid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester
Carbazic acid, 3-isopropyl-, tert-butyl ester
1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate
tert-Butyl 2-isopropylhydrazinecarboxylate
2-Isopropylhydrazinecarboxylic acid tert-butyl ester
1-Boc-2-isopropylhydrazine
Identifiers:
SMILES:
CC(C)NN=C(O)OC(C)(C)C
InChI:
InChI=1S/C8H18N2O2/c1-6(2)9-10-7(11)12-8(3,4)5/h6,9H,1-5H3,(H,10,11)
Key Properties
Melting Point
47-51 °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 | 174.24 g/mol | CAS Common Chemistry |
| 174.24399999999997 g/mol | RDKit | |
| 174.136827816 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2O2/c1-6(2)9-10-7(11)12-8(3,4)5/h6,9H,1-5H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=PUAKAEDMCXRDPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47-51 °C | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.85000000000001 Ų | RDKit |
| LogP | 1.6285 | RDKit |
| Molar Refractivity | 49.173500000000026 | RDKit |
