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1-Methyl-1H-Indazol-6-Amine
CAS: 74728-65-7 | C8H9N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74728-65-7
Molecular Formula:
C8H9N3
Molecular Weight:
147.181 g/mol
Names and Synonyms:
1-Methyl-1H-Indazol-6-Amine
(1-Methylindazol-6-yl)amine
(1-Methyl-1H-indazol-6-yl)amine
1-Methyl-6-amino-1H-indazole
6-Amino-1-methylindazole
1-Methyl-6-indazolamine
1-Methyl-1H-indazol-6-amine
1H-Indazole, 6-amino-1-methyl-
1H-Indazol-6-amine, 1-methyl-
Identifiers:
SMILES:
Cn1ncc2ccc(N)cc21
InChI:
InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 147.18 g/mol | Legacy Database |
| cas-canonical-smile | N1=CC=2C=CC(N)=CC2N1C None | Legacy Database |
| cas-inchi | InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YTKNUPJYGSOVLV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 172-173 °C None | Legacy Database |
| cas-name | 1-Methyl-1H-indazol-6-amine None | Legacy Database |
| LogP | 1.1555 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.181 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.079647288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 43.84 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.12640000000002 | RDKit |
