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Molecule
Octanoic Hydrazide
CAS: 6304-39-8 · C8H18N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6304-39-8
- Molecular Formula
- C8H18N2O
- Molecular Mass
- 158.25 g/mol
Identifiers
CAS Registry Number
6304-39-8
SMILES
CCCCCCCC(O)=NN
InChI Key
VMUZVGRNTPFTKE-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-8(11)10-9/h2-7,9H2,1H3,(H,10,11)
Names and Synonyms
- Octanoic Hydrazide Common Name
- Octanoic acid, hydrazide Synonym
- Caprylic hydrazide Synonym
- Octanoylhydrazine Synonym
- Octanoic hydrazide Synonym
- Caprylic acid hydrazide Synonym
- Capryloylhydrazide Synonym
- NSC 227236 Synonym
- NSC 42947 Synonym
- Octanoyl hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.25 g/mol | CAS Common Chemistry |
| 158.245 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N2O/c1-2-3-4-5-6-7-8(11)10-9/h2-7,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=VMUZVGRNTPFTKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87-89 °C | CAS Common Chemistry |
| Name | Octanoic hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 2.1771000000000003 | RDKit |
| 2.1771 | RDKit | |
| 2.06 | chempirical lib | |
| Molar Refractivity | 47.627200000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 158.141913196 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 |
|---|
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 = 158.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H18N2O.
