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Molecule
2,2-Dimethylpropanoic Acid Hydrazide
CAS: 42826-42-6 · C5H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 42826-42-6
- Molecular Formula
- C5H12N2O
- Molecular Mass
- 116.16 g/mol
Identifiers
CAS Registry Number
42826-42-6
SMILES
CC(C)(C)C(O)=NN
InChI Key
OARJXUPBZNUYBG-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
Names and Synonyms
- 2,2-Dimethylpropanoic Acid Hydrazide Synonym
- Propanoic acid, 2,2-dimethyl-, hydrazide Synonym
- Pivalic acid, hydrazide Synonym
- 2,2-Dimethylpropanoic acid hydrazide Synonym
- 2,2-Dimethylpropionic acid hydrazide Synonym
- Pivaloylhydrazine Synonym
- Pivalohydrazide Synonym
- tert-Pentanoic acid hydrazide Synonym
- 2,2-Dimethylpropanoylhydrazine Synonym
- 2,2-Dimethylpropanehydrazide Synonym
- N-(tert-Butylcarbonyl)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| 116.164 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=OARJXUPBZNUYBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65 °C | CAS Common Chemistry |
| Name | 2,2-Dimethylpropanoic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 0.8627 | RDKit |
| 0.89 | chempirical lib | |
| Molar Refractivity | 33.70619999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 116.094963004 g/mol | RDKit |
| Boiling Point | 113 °C @ 12 Torr | CAS Common Chemistry |
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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| 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 = 116.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12N2O.
