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Molecule
Malonic Dihydrazide
CAS: 3815-86-9 · C3H8N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3815-86-9
- Molecular Formula
- C3H8N4O2
- Molecular Mass
- 132.12 g/mol
Identifiers
CAS Registry Number
3815-86-9
SMILES
NN=C(O)CC(O)=NN
InChI Key
PSIKPHJLTVSQFO-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)
Names and Synonyms
- Malonic Dihydrazide Synonym
- Propanedioic acid, 1,3-dihydrazide Synonym
- Malonic acid, dihydrazide Synonym
- Propanedioic acid, dihydrazide Synonym
- Malonyl dihydrazide Synonym
- Malonyl hydrazide Synonym
- Malonhydrazide Synonym
- Malonic acid hydrazide Synonym
- Malonic dihydrazide Synonym
- Malonoyl dihydrazine Synonym
- Malondihydrazide Synonym
- NSC 649 Synonym
- MDH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.12 g/mol | CAS Common Chemistry |
| 132.123 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 |
| -0.9631 | RDKit | |
| Molar Refractivity | 33.1194 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 132.064725496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 132.12 g/mol. Edit any field — others recompute live.
