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Propanoic Acid, 2-Methyl-, Hydrazide
CAS: 3619-17-8 | C4H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3619-17-8
Molecular Formula:
C4H10N2O
Molecular Mass:
102.14 g/mol
Names and Synonyms:
Propanoic Acid, 2-Methyl-, Hydrazide
Propanoic acid, 2-methyl-, hydrazide
Isobutyric acid, hydrazide
Isobutyrohydrazide
Isobutyryl hydrazide
Isobutyrylhydrazine
Isobutyric hydrazide
2-Methylpropionic acid hydrazide
Isobutanoic acid hydrazide
NSC 141139
2-Methylpropanoic acid hydrazide
2-Methylpropanehydrazide
2-Methylpropanohydrazide
Identifiers:
SMILES:
CC(C)C(O)=NN
InChI:
InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
Key Properties
Melting Point
98 °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 | 102.14 g/mol | CAS Common Chemistry |
| 102.137 g/mol | RDKit | |
| 102.07931294 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=PLNNJQXIITYYTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98 °C | CAS Common Chemistry |
| Name | Propanoic acid, 2-methyl-, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 0.4726000000000002 | RDKit |
| Molar Refractivity | 29.089199999999995 | RDKit |
