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Molecule
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
Identifiers
CAS Registry Number
2338-18-3
SMILES
Cl.NC1Cc2ccccc2C1
InChI Key
XEHNLVMHWYPNEQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
Names and Synonyms
- 2-Aminoindan Hydrochloride Synonym
- 1H-Inden-2-amine, 2,3-dihydro-, hydrochloride (1:1) Synonym
- 2-Indanamine, hydrochloride Synonym
- 1H-Inden-2-amine, 2,3-dihydro-, hydrochloride Synonym
- SU 8629 hydrochloride Synonym
- 2-Aminoindan hydrochloride Synonym
- 2-Amino-2,3-dihydro-1H-indene hydrochloride Synonym
- Indan-2-ylamine hydrochloride Synonym
- 2-Aminoindan monohydrochloride Synonym
- (2,3-Dihydro-1H-inden-2-yl)amine hydrochloride Synonym
- 2,3-Dihydro-1H-inden-2-amine hydrochloride Synonym
- 2,3-dihydro-1H-inden-2-amine hydrochloride (1:1) Synonym
- 2,3-Dihydro-1H-inden-2-aminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.66 g/mol | CAS Common Chemistry |
| 169.65499999999997 g/mol | RDKit | |
| 169.655 g/mol | RDKit | |
| 169.652 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 169.065827064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
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MW = 169.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12ClN.
