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2-Aminoindane
CAS: 2975-41-9 | C9H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2975-41-9
Molecular Formula:
C9H11N
Molecular Mass:
133.19 g/mol
Names and Synonyms:
2-Aminoindane
2-Indanamine
2,3-Dihydro-1H-inden-2-amine
Su 8629
2-Aminoindan
2-Aminoindane
2-Indanylamine
(2,3-Dihydro-1H-inden-2-yl)amine
2-Amino-2,3-dihydro-1H-indene
2-AI
1H-Inden-2-amine, 2,3-dihydro-
Identifiers:
SMILES:
NC1Cc2ccccc2C1
InChI:
InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
Key Properties
Boiling Point
247 °C
CAS Common Chemistry
Melting Point
33-34 °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 |
| 133.19399999999996 g/mol | RDKit | |
| 133.089149352 g/mol | RDKit | |
| Boiling Point | 247 °C | CAS Common Chemistry |
| Canonical SMILES | NC1CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LMHHFZAXSANGGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33-34 °C | CAS Common Chemistry |
| Name | 2-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 | 1.1125000000000003 | RDKit |
| Molar Refractivity | 41.82540000000002 | RDKit |
