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1-Naphthoic Hydrazide
CAS: 43038-45-5 | C11H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
43038-45-5
Molecular Formula:
C11H10N2O
Molecular Mass:
186.21 g/mol
Names and Synonyms:
1-Naphthoic Hydrazide
1-Naphthalenecarboxylic acid, hydrazide
1-Naphthoic acid hydrazide
α-Naphthalenecarboxylic acid hydrazide
1-Naphthoylhydrazine
1-Naphthoylhydrazide
1-Naphthoic hydrazide
α-Naphthoylhydrazide
NSC 23046
Identifiers:
SMILES:
NN=C(O)c1cccc2ccccc12
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)
Key Properties
Melting Point
164-166 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| 186.214 g/mol | RDKit | |
| 186.07931294 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 | RDKit |
