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9H-Fluoren-9-Amine, Hydrochloride (1:1)
CAS: 5978-75-6 | C13H12ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5978-75-6
Molecular Formula:
C13H12ClN
Molecular Mass:
217.70 g/mol
Names and Synonyms:
9H-Fluoren-9-Amine, Hydrochloride (1:1)
9H-Fluoren-9-amine, hydrochloride (1:1)
Fluoren-9-amine, hydrochloride
9H-Fluoren-9-amine, hydrochloride
9-Aminofluorene hydrochloride
9-Fluorenylamine hydrochloride
Identifiers:
SMILES:
Cl.NC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H
Key Properties
Melting Point
255-257 °C (decomp)
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 | 217.70 g/mol | CAS Common Chemistry |
| 217.69899999999998 g/mol | RDKit | |
| 217.065827064 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N.ClH/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;/h1-8,13H,14H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SYKJOJSYQSVNOM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255-257 °C (decomp) | CAS Common Chemistry |
| Name | 9H-Fluoren-9-amine, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.1369000000000016 | RDKit |
| Molar Refractivity | 65.15640000000002 | RDKit |
