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Molecule
Decanedioic Acid 1,10-Dihydrazide
CAS: 925-83-7 · C10H22N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 925-83-7
- Molecular Formula
- C10H22N4O2
- Molecular Mass
- 230.31 g/mol
Identifiers
CAS Registry Number
925-83-7
SMILES
NN=C(O)CCCCCCCCC(O)=NN
InChI Key
ZWLIYXJBOIDXLL-UHFFFAOYSA-N
InChI
InChI=1S/C10H22N4O2/c11-13-9(15)7-5-3-1-2-4-6-8-10(16)14-12/h1-8,11-12H2,(H,13,15)(H,14,16)
Names and Synonyms
- Decanedioic Acid 1,10-Dihydrazide Synonym
- Decanedioic acid, 1,10-dihydrazide Synonym
- Sebacic acid, dihydrazide Synonym
- Decanedioic acid, dihydrazide Synonym
- Decanedioic acid 1,10-dihydrazide Synonym
- Sebacic dihydrazide Synonym
- Sebacic acid hydrazide Synonym
- NSC 23709 Synonym
- SDH-S Synonym
- SDH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.31 g/mol | CAS Common Chemistry |
| 230.31199999999995 g/mol | RDKit | |
| 230.312 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CCCCCCCCC(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C10H22N4O2/c11-13-9(15)7-5-3-1-2-4-6-8-10(16)14-12/h1-8,11-12H2,(H,13,15)(H,14,16) | CAS Common Chemistry |
| InChI Key | InChIKey=ZWLIYXJBOIDXLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185 °C | CAS Common Chemistry |
| Name | Decanedioic acid 1,10-dihydrazide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.22 Ų | RDKit |
| LogP | 1.7675999999999998 | RDKit |
| 1.7676 | RDKit | |
| Molar Refractivity | 65.43840000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 230.174275944 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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 = 230.31 g/mol. Edit any field — others recompute live.
