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Butanoic Acid Hydrazide
CAS: 3538-65-6 | C4H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3538-65-6
Molecular Formula:
C4H10N2O
Molecular Weight:
102.137 g/mol
Names and Synonyms:
Butanoic Acid Hydrazide
Butanoic acid, hydrazide
Butyric acid, hydrazide
Butanoic acid hydrazide
Butyric hydrazide
Butyrylhydrazine
Butanoyl hydrazide
Butanoic hydrazide
NSC 24021
NSC 41957
Identifiers:
SMILES:
CCCC(O)=NN
InChI:
InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(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 |
|---|
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
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 | 2 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 | 0.6167 | RDKit |
| molecular_mass | 102.14 g/mol | Legacy Database |
| cas-boiling-point | 138 °C None | Legacy Database |
| cas-canonical-smile | O=C(NN)CCC None | Legacy Database |
| cas-inchi | InChI=1S/C4H10N2O/c1-2-3-4(7)6-5/h2-3,5H2,1H3,(H,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=FCCCRBDJBTVFSJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 45.5 °C None | Legacy Database |
| cas-name | Butanoic acid hydrazide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.159199999999995 | RDKit |
