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1-Methyl-1H-Indol-5-Amine
CAS: 102308-97-4 | C9H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102308-97-4
Molecular Formula:
C9H10N2
Molecular Mass:
146.19 g/mol
Names and Synonyms:
1-Methyl-1H-Indol-5-Amine
1H-Indol-5-amine, 1-methyl-
Indole, 5-amino-1-methyl-
1-Methyl-1H-indol-5-amine
1-Methyl-5-aminoindole
2-Methyl-5-amino-1H-indole
(1-Methylindol-5-yl)amine
1-Methyl-5-amino-1H-indole
5-Amino-1-methylindole
5-Amino-1-methyl-1H-indole
1-Methylindol-5-amine
N-(1-Methyl-1H-indol-5-yl)amine
Identifiers:
SMILES:
Cn1ccc2cc(N)ccc21
InChI:
InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
Key Properties
Boiling Point
143-144 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
100-101.5 °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 | 146.19 g/mol | CAS Common Chemistry |
| 146.193 g/mol | RDKit | |
| 146.08439832 g/mol | RDKit | |
| Boiling Point | 143-144 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC2=C(C=CN2C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PGTSGPCXPIFQEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 100-101.5 °C | CAS Common Chemistry |
| Name | 1-Methyl-1H-indol-5-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 30.95 Ų | RDKit |
| LogP | 1.7604999999999997 | RDKit |
| Molar Refractivity | 47.331400000000016 | RDKit |
