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4-Aminoindane
CAS: 32202-61-2 | C9H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32202-61-2
Molecular Formula:
C9H11N
Molecular Mass:
133.19 g/mol
Names and Synonyms:
4-Aminoindane
1H-Inden-4-amine, 2,3-dihydro-
4-Indanamine
2,3-Dihydro-1H-inden-4-amine
4-Aminoindan
4-Aminoindane
Indan-4-ylamine
Identifiers:
SMILES:
Nc1cccc2c1CCC2
InChI:
InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2
Key Properties
Boiling Point
235 °C @ Press: 754 Torr
CAS Common Chemistry
Melting Point
9 °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 |
|---|
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 |
| 133.194 g/mol | RDKit | |
| 133.089149352 g/mol | RDKit | |
| Boiling Point | 235 °C @ Press: 754 Torr | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=CC2=C1CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RXTJLDXSGNEJIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 9 °C | CAS Common Chemistry |
| Name | 4-Aminoindane | 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 |
| Molar Refractivity | 42.87940000000002 | RDKit |
