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(±)-1-Aminoindan
CAS: 34698-41-4 | C9H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34698-41-4
Molecular Formula:
C9H11N
Molecular Mass:
133.19 g/mol
Names and Synonyms:
(±)-1-Aminoindan
1H-Inden-1-amine, 2,3-dihydro-
1-Indanamine
2,3-Dihydro-1H-inden-1-amine
1-Aminoindan
1-Indanylamine
(RS)-1-Aminoindan
(±)-1-Aminoindan
dl-Indan-1-amine
NSC 62540
TVP 136
2,3-Dihydro-1H-inden-1-ylamine
(±)-2,3-Dihydro-1H-inden-1-amine
Identifiers:
SMILES:
NC1CCc2ccccc21
InChI:
InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
Key Properties
Boiling Point
92-95 °C @ Press: 7 Torr
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 | 133.19 g/mol | CAS Common Chemistry |
| 133.19399999999996 g/mol | RDKit | |
| 133.089149352 g/mol | RDKit | |
| Boiling Point | 92-95 °C @ Press: 7 Torr | CAS Common Chemistry |
| 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 | RDKit |
