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Molecule
Adipic Acid Dihydrazide
CAS: 1071-93-8 · C6H14N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1071-93-8
- Molecular Formula
- C6H14N4O2
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
1071-93-8
SMILES
NN=C(O)CCCCC(O)=NN
InChI Key
IBVAQQYNSHJXBV-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
Names and Synonyms
- Adipic Acid Dihydrazide Common Name
- Hexanedioic acid, 1,6-dihydrazide Synonym
- Adipic acid, dihydrazide Synonym
- Hexanedioic acid, dihydrazide Synonym
- Adipic dihydrazide Synonym
- Adipoyl hydrazide Synonym
- ADH Synonym
- Adipoyl dihydrazide Synonym
- Adipoyldihydrazine Synonym
- Qualimer ADH Synonym
- BT 1000Z Synonym
- BK 1000Z Synonym
- NSC 29542 Synonym
- NSC 3378 Synonym
- ADH 4S Synonym
- ADH (hydrazide) Synonym
- ADH-J Synonym
- ADH-S Synonym
- T 2210 Synonym
- Ajicure ADH Synonym
- Adipic acid dihydrazide Synonym
- Technicure ADH Synonym
- Epicure PD 797 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.204 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Adipic_acid_dihydrazide | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)CCCCC(=O)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N4O2/c7-9-5(11)3-1-2-4-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=IBVAQQYNSHJXBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171 °C @ Solvent: Water | CAS Common Chemistry |
| Name | Adipic dihydrazide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 117.22 Ų | RDKit |
| LogP | 0.20719999999999988 | RDKit |
| 0.2072 | RDKit | |
| Molar Refractivity | 46.97040000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 174.111675688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 |
|---|
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 = 174.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N4O2.
