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Nicotinic Acid, Hydrazide
CAS: 553-53-7 | C6H7N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
553-53-7
Molecular Formula:
C6H7N3O
Molecular Weight:
137.142 g/mol
Names and Synonyms:
Nicotinic Acid, Hydrazide
3-Nicotinohydrazide
Pyridine-3-carbonylhydrazine
N-Aminopyridine-3-carboxamide
3-Pyridinecarbohydrazide
INHd 37
NSC 41703
NSC 18775
Nicotinohydrazide
Niazid
Nicotinylhydrazine
3-Pyridinecarboxylic hydrazide
(3-Pyridylcarbonyl)hydrazine
NSC 36088
Nicotinoyl hydrazide
Nicotinic hydrazide
Nicotinyl hydrazide
3-Pyridoylhydrazine
Nicotinoylhydrazine
Nicotinic acid, hydrazide
3-Pyridinecarboxylic acid, hydrazide
Identifiers:
SMILES:
NN=C(O)c1cccnc1
InChI:
InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.142 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.058911844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 71.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.25989999999999996 | RDKit |
| molecular_mass | 137.14 g/mol | Legacy Database |
| density | 1.45 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(NN)C=1C=NC=CC1 None | Legacy Database |
| cas-density | 1.454 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=KFUSANSHCADHNJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 161.5 °C None | Legacy Database |
| cas-name | Nicotinic acid, hydrazide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.59020000000002 | RDKit |
