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2-Aminoindan Hydrochloride
CAS: 2338-18-3 | C9H12ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2338-18-3
Molecular Formula:
C9H12ClN
Molecular Mass:
169.66 g/mol
Names and Synonyms:
2-Aminoindan Hydrochloride
1H-Inden-2-amine, 2,3-dihydro-, hydrochloride (1:1)
2-Indanamine, hydrochloride
1H-Inden-2-amine, 2,3-dihydro-, hydrochloride
SU 8629 hydrochloride
2-Aminoindan hydrochloride
2-Amino-2,3-dihydro-1H-indene hydrochloride
Indan-2-ylamine hydrochloride
2-Aminoindan monohydrochloride
(2,3-Dihydro-1H-inden-2-yl)amine hydrochloride
2,3-Dihydro-1H-inden-2-amine hydrochloride
2,3-dihydro-1H-inden-2-amine hydrochloride (1:1)
2,3-Dihydro-1H-inden-2-aminium chloride
Identifiers:
SMILES:
Cl.NC1Cc2ccccc2C1
InChI:
InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
Key Properties
Melting Point
240 °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 |
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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 | 169.66 g/mol | CAS Common Chemistry |
| 169.65499999999997 g/mol | RDKit | |
| 169.065827064 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XEHNLVMHWYPNEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | 2-Aminoindan hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.5343 | RDKit |
| Molar Refractivity | 49.07340000000002 | RDKit |
