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1H-Indazol-3-Amine
CAS: 874-05-5 | C7H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
874-05-5
Molecular Formula:
C7H7N3
Molecular Mass:
133.15 g/mol
Names and Synonyms:
1H-Indazol-3-Amine
1H-Indazol-3-amine
1H-Indazole, 3-amino-
3-Aminoindazole
3-Indazolamine
3-Amino-1H-indazole
1H-Indazol-3-ylamine
NSC 348887
NSC 44677
Identifiers:
SMILES:
N=c1[nH][nH]c2ccccc12
InChI:
InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
Key Properties
Melting Point
153-154 °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 | 133.15 g/mol | CAS Common Chemistry |
| 133.15399999999997 g/mol | RDKit | |
| 133.063997224 g/mol | RDKit | |
| Canonical SMILES | N=1NC=2C=CC=CC2C1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=YDTDKKULPWTHRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153-154 °C | CAS Common Chemistry |
| Name | 1H-Indazol-3-amine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.43 Ų | RDKit |
| LogP | 0.9754700000000001 | RDKit |
| Molar Refractivity | 38.50410000000001 | RDKit |
