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Molecule
1-Naphthoic Hydrazide
CAS: 43038-45-5 · C11H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 43038-45-5
- Molecular Formula
- C11H10N2O
- Molecular Mass
- 186.21 g/mol
Identifiers
CAS Registry Number
43038-45-5
SMILES
NN=C(O)c1cccc2ccccc12
InChI Key
VMFUMDXVTKTZQY-UHFFFAOYSA-N
InChI
InChI=1S/C11H10N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,14)
Names and Synonyms
- 1-Naphthoic Hydrazide Synonym
- 1-Naphthalenecarboxylic acid, hydrazide Synonym
- 1-Naphthoic acid hydrazide Synonym
- α-Naphthalenecarboxylic acid hydrazide Synonym
- 1-Naphthoylhydrazine Synonym
- 1-Naphthoylhydrazide Synonym
- 1-Naphthoic hydrazide Synonym
- α-Naphthoylhydrazide Synonym
- NSC 23046 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| 186.214 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H10N2O/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=VMFUMDXVTKTZQY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-166 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 1-Naphthoic hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 2.0181 | RDKit |
| Molar Refractivity | 57.301200000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 186.07931294 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 = 186.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H10N2O.
