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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 Weight:
102.137 g/mol
Names and Synonyms:
Propanoic Acid, 2-Methyl-, Hydrazide
2-Methylpropanohydrazide
2-Methylpropanehydrazide
2-Methylpropanoic acid hydrazide
NSC 141139
Isobutanoic acid hydrazide
2-Methylpropionic acid hydrazide
Isobutyric hydrazide
Isobutyrylhydrazine
Isobutyryl hydrazide
Isobutyrohydrazide
Isobutyric acid, hydrazide
Propanoic acid, 2-methyl-, hydrazide
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)
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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 102.137 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 102.07931294 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 58.61 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 0.4726000000000002 | RDKit |
molecular_mass | 102.14 g/mol | Legacy Database |
cas-canonical-smile | O=C(NN)C(C)C None | Legacy Database |
cas-inchi | InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7) None | Legacy Database |
cas-inchi-key | InChIKey=PLNNJQXIITYYTN-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 98 °C None | Legacy Database |
cas-name | Propanoic acid, 2-methyl-, hydrazide None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 29.089199999999995 | RDKit |