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Molecule
1,1-Dimethylethyl 2-(1-Methylethyl)Hydrazinecarboxylate
CAS: 16689-35-3 · C8H18N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16689-35-3
- Molecular Formula
- C8H18N2O2
- Molecular Mass
- 174.24 g/mol
Identifiers
CAS Registry Number
16689-35-3
SMILES
CC(C)NN=C(O)OC(C)(C)C
InChI Key
PUAKAEDMCXRDPR-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O2/c1-6(2)9-10-7(11)12-8(3,4)5/h6,9H,1-5H3,(H,10,11)
Names and Synonyms
- 1,1-Dimethylethyl 2-(1-Methylethyl)Hydrazinecarboxylate Systematic Name
- Hydrazinecarboxylic acid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester Synonym
- Carbazic acid, 3-isopropyl-, tert-butyl ester Synonym
- 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate Synonym
- tert-Butyl 2-isopropylhydrazinecarboxylate Synonym
- 2-Isopropylhydrazinecarboxylic acid tert-butyl ester Synonym
- 1-Boc-2-isopropylhydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.24 g/mol | CAS Common Chemistry |
| 174.24399999999997 g/mol | RDKit | |
| 174.244 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 |
| 53.85 Ų | RDKit | |
| LogP | 1.6285 | RDKit |
| 1.77 | chempirical lib | |
| Molar Refractivity | 49.173500000000026 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 174.136827816 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
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| 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.
External Resources
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MW = 174.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18N2O2.
