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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 Mass:
147.18 g/mol
Names and Synonyms:
1-Methyl-1H-Indazol-6-Amine
1H-Indazol-6-amine, 1-methyl-
1H-Indazole, 6-amino-1-methyl-
1-Methyl-1H-indazol-6-amine
1-Methyl-6-indazolamine
6-Amino-1-methylindazole
1-Methyl-6-amino-1H-indazole
(1-Methyl-1H-indazol-6-yl)amine
(1-Methylindazol-6-yl)amine
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
Key Properties
Melting Point
172-173 °C
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 | 147.18 g/mol | CAS Common Chemistry |
| 147.181 g/mol | RDKit | |
| 147.079647288 g/mol | RDKit | |
| Canonical SMILES | N1=CC=2C=CC(N)=CC2N1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YTKNUPJYGSOVLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-173 °C | CAS Common Chemistry |
| Name | 1-Methyl-1H-indazol-6-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.84 Ų | RDKit |
| LogP | 1.1555 | RDKit |
| Molar Refractivity | 45.12640000000002 | RDKit |
