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Malonic Dihydrazide
CAS: 3815-86-9 | C3H8N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3815-86-9
Molecular Formula:
C3H8N4O2
Molecular Mass:
132.12 g/mol
Names and Synonyms:
Malonic Dihydrazide
Propanedioic acid, 1,3-dihydrazide
Malonic acid, dihydrazide
Propanedioic acid, dihydrazide
Malonyl dihydrazide
Malonyl hydrazide
Malonhydrazide
Malonic acid hydrazide
Malonic dihydrazide
Malonoyl dihydrazine
Malondihydrazide
NSC 649
MDH
Identifiers:
SMILES:
NN=C(O)CC(O)=NN
InChI:
InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)
Key Properties
Melting Point
154 °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 | 132.12 g/mol | CAS Common Chemistry |
| 132.123 g/mol | RDKit | |
| 132.064725496 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CC(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9) | CAS Common Chemistry |
| InChI Key | InChIKey=PSIKPHJLTVSQFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | Malonic dihydrazide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.22 Ų | RDKit |
| LogP | -0.9631000000000003 | RDKit |
| Molar Refractivity | 33.1194 | RDKit |
