Back to Search
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
Names and Synonyms:
2,2-Dimethylpropanoic Acid Hydrazide
Propanoic acid, 2,2-dimethyl-, hydrazide
Pivalic acid, hydrazide
2,2-Dimethylpropanoic acid hydrazide
2,2-Dimethylpropionic acid hydrazide
Pivaloylhydrazine
Pivalohydrazide
tert-Pentanoic acid hydrazide
2,2-Dimethylpropanoylhydrazine
2,2-Dimethylpropanehydrazide
N-(tert-Butylcarbonyl)hydrazine
Identifiers:
SMILES:
CC(C)(C)C(O)=NN
InChI:
InChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
Key Properties
Boiling Point
113 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
65 °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 | 116.16 g/mol | CAS Common Chemistry |
| 116.164 g/mol | RDKit | |
| 116.094963004 g/mol | RDKit | |
| Boiling Point | 113 °C @ Press: 12 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 33.70619999999999 | RDKit |
