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Molecule
(±)-1-Aminoindan
CAS: 34698-41-4 · C9H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 34698-41-4
- Molecular Formula
- C9H11N
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
34698-41-4
SMILES
NC1CCc2ccccc21
InChI Key
XJEVHMGJSYVQBQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
Names and Synonyms
- (±)-1-Aminoindan Synonym
- 1H-Inden-1-amine, 2,3-dihydro- Synonym
- 1-Indanamine Synonym
- 2,3-Dihydro-1H-inden-1-amine Synonym
- 1-Aminoindan Synonym
- 1-Indanylamine Synonym
- (RS)-1-Aminoindan Synonym
- (±)-1-Aminoindan Synonym
- dl-Indan-1-amine Synonym
- NSC 62540 Synonym
- TVP 136 Synonym
- 2,3-Dihydro-1H-inden-1-ylamine Synonym
- (±)-2,3-Dihydro-1H-inden-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.19399999999996 g/mol | RDKit | |
| 133.194 g/mol | RDKit | |
| Canonical SMILES | NC1C=2C=CC=CC2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XJEVHMGJSYVQBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-1-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 | 1.6326 | RDKit |
| Molar Refractivity | 41.69140000000002 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 |
| Boiling Point | 92-95 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
