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5-Aminoindole
CAS: 5192-03-0 | C8H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5192-03-0
Molecular Formula:
C8H8N2
Molecular Weight:
132.166 g/mol
Names and Synonyms:
5-Aminoindole
NSC 61452
(Indol-5-yl)amine
1H-Indol-5-ylamine
5-Amino-1H-indole
5-Indolamine
5-Aminoindole
Indole, 5-amino-
1H-Indol-5-amine
Identifiers:
SMILES:
Nc1ccc2[nH]ccc2c1
InChI:
InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
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 |
|---|---|---|
| cas-canonical-smile | NC=1C=CC=2NC=CC2C1 None | Legacy Database |
| cas-inchi | InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2 None | Legacy Database |
| molecular_mass | 132.17 g/mol | Legacy Database |
| cas-boiling-point | 190 °C @ Press: 6 Torr None | Legacy Database |
| cas-inchi-key | InChIKey=ZCBIFHNDZBSCEP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 131-133 °C None | Legacy Database |
| cas-name | 5-Aminoindole None | Legacy Database |
| LogP | 1.7500999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.166 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.068748256 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 41.81 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.7111 | RDKit |
