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Molecule
5-Aminoindan
CAS: 24425-40-9 · C9H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24425-40-9
- Molecular Formula
- C9H11N
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
24425-40-9
SMILES
Nc1ccc2c(c1)CCC2
InChI Key
LEWZOBYWGWKNCK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2
Names and Synonyms
- 5-Aminoindan Synonym
- 1H-Inden-5-amine, 2,3-dihydro- Synonym
- 5-Indanamine Synonym
- 2,3-Dihydro-1H-inden-5-amine Synonym
- 5-Aminoindan Synonym
- 5-Aminoindane Synonym
- 5-Indanylamine Synonym
- 6-Aminoindan Synonym
- (2,3-Dihydro-1H-inden-5-yl)amine Synonym
- 5-Amino-2,3-dihydro-1H-indene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.194 g/mol | RDKit | |
| Boiling Point | 248 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C2C(=C1)CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LEWZOBYWGWKNCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37.5 °C | CAS Common Chemistry |
| Name | 5-Aminoindan | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.7575 | RDKit |
| 1.84 | chempirical lib | |
| Molar Refractivity | 42.87940000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 133.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 133.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11N.
