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4-Methoxy-1H-Indazol-3-Amine
CAS: 886362-07-8 | C8H9N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
886362-07-8
Molecular Formula:
C8H9N3O
Molecular Mass:
163.18 g/mol
Names and Synonyms:
4-Methoxy-1H-Indazol-3-Amine
1H-Indazol-3-amine, 4-methoxy-
4-Methoxy-1H-indazol-3-amine
4-(Methyloxy)-1H-indazol-3-amine
Identifiers:
SMILES:
COc1cccc2[nH][nH]c(=N)c12
InChI:
InChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)8(9)11-10-5/h2-4H,1H3,(H3,9,10,11)
Key Properties
Melting Point
163-166 °C @ Solvent: Methanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 163.18 g/mol | CAS Common Chemistry |
| 163.074561908 g/mol | RDKit | |
| Canonical SMILES | N=1NC=2C=CC=C(OC)C2C1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N3O/c1-12-6-4-2-3-5-7(6)8(9)11-10-5/h2-4H,1H3,(H3,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=JZAMRGWQDJMEJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 163-166 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 4-Methoxy-1H-indazol-3-amine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 64.66 Ų | RDKit |
| LogP | 0.9840699999999998 | RDKit |
| Molar Refractivity | 45.05610000000001 | RDKit |
