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Molecule
Lauric Hydrazide
CAS: 5399-22-4 · C12H26N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5399-22-4
- Molecular Formula
- C12H26N2O
- Molecular Mass
- 214.35 g/mol
Identifiers
CAS Registry Number
5399-22-4
SMILES
CCCCCCCCCCCC(O)=NN
InChI Key
YTQHSQQSLTYMSL-UHFFFAOYSA-N
InChI
InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15)
Names and Synonyms
- Lauric Hydrazide Synonym
- Dodecanoic acid, hydrazide Synonym
- Lauric acid, hydrazide Synonym
- Dodecanohydrazide Synonym
- Lauroylhydrazine Synonym
- Dodecanoic hydrazide Synonym
- Lauroyl hydrazide Synonym
- NSC 1136 Synonym
- Lauric hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.35 g/mol | CAS Common Chemistry |
| 214.35299999999998 g/mol | RDKit | |
| 214.353 g/mol | RDKit | |
| Boiling Point | 270-275 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26N2O/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13/h2-11,13H2,1H3,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=YTQHSQQSLTYMSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104.5 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Lauric hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 3.7375000000000016 | RDKit |
| 3.7375 | RDKit | |
| 3.62 | chempirical lib | |
| Molar Refractivity | 66.09520000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9167 | RDKit |
| 0.92 | chempirical lib | |
| Exact Mass | 214.204513452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 214.35 g/mol. Edit any field — others recompute live.
