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Molecule
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
Identifiers
CAS Registry Number
5978-75-6
SMILES
Cl.NC1c2ccccc2-c2ccccc21
InChI Key
SYKJOJSYQSVNOM-UHFFFAOYSA-N
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
Names and Synonyms
- 9H-Fluoren-9-Amine, Hydrochloride (1:1) Synonym
- 9H-Fluoren-9-amine, hydrochloride (1:1) Synonym
- Fluoren-9-amine, hydrochloride Synonym
- 9H-Fluoren-9-amine, hydrochloride Synonym
- 9-Aminofluorene hydrochloride Synonym
- 9-Fluorenylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.70 g/mol | CAS Common Chemistry |
| 217.69899999999998 g/mol | RDKit | |
| 217.699 g/mol | RDKit | |
| 217.696 g/mol | chempirical lib | |
| 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 |
| 3.1369 | RDKit | |
| 2.89 | chempirical lib | |
| Molar Refractivity | 65.15640000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 217.065827064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 217.70 g/mol. Edit any field — others recompute live.
