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1H-Indazol-6-Amine
CAS: 6967-12-0 | C7H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6967-12-0
Molecular Formula:
C7H7N3
Molecular Weight:
133.15400000000002 g/mol
Names and Synonyms:
1H-Indazol-6-Amine
1H-Indazol-6-ylamine
NSC 68265
NSC 208700
6-Indazolamine
6-Amino-1H-indazole
6-Aminoindazole
1H-Indazole, 6-amino-
1H-Indazol-6-amine
Identifiers:
SMILES:
Nc1ccc2c[nH]nc2c1
InChI:
InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(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 | 133.15400000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.063997224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 54.7 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1451 | RDKit |
| molecular_mass | 133.15 g/mol | Legacy Database |
| cas-canonical-smile | N1=CC=2C=CC(N)=CC2N1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=KEJFADGISRFLFO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 207-208 °C None | Legacy Database |
| cas-name | 1H-Indazol-6-amine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.506099999999996 | RDKit |
