Back to Search
2,3-Dimethyl-2H-Indazol-6-Amine
CAS: 444731-72-0 | C9H11N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
444731-72-0
Molecular Formula:
C9H11N3
Molecular Mass:
161.21 g/mol
Names and Synonyms:
2,3-Dimethyl-2H-Indazol-6-Amine
2H-Indazol-6-amine, 2,3-dimethyl-
2,3-Dimethyl-2H-indazol-6-amine
2,3-Dimethyl-6-amino-2H-indazole
6-Amino-2,3-dimethyl-2H-indazole
2,3-Dimethyl-2H-indazol-6-ylamine
2,3-Dimethylindazol-6-amine
Identifiers:
SMILES:
Cc1c2ccc(N)cc2nn1C
InChI:
InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,10H2,1-2H3
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 | 161.21 g/mol | CAS Common Chemistry |
| 161.208 g/mol | RDKit | |
| 161.095297352 g/mol | RDKit | |
| Canonical SMILES | N1=C2C=C(N)C=CC2=C(N1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N3/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PVNVSSNARYHLRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3-Dimethyl-2H-indazol-6-amine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.839999999999996 Ų | RDKit |
| LogP | 1.4639199999999999 | RDKit |
| Molar Refractivity | 49.86340000000001 | RDKit |
