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Molecule
Fluoren-9-Amine
CAS: 525-03-1 · C13H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 525-03-1
- Molecular Formula
- C13H11N
- Molecular Mass
- 181.24 g/mol
Identifiers
CAS Registry Number
525-03-1
SMILES
NC1c2ccccc2-c2ccccc21
InChI Key
OUGMRQJTULXVDC-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,14H2
Names and Synonyms
- Fluoren-9-Amine Common Name
- 9H-Fluoren-9-amine Synonym
- Fluoren-9-amine Synonym
- 9-Aminofluorene Synonym
- Fluoren-9-ylamine Synonym
- 9-Amino-9H-fluorene Synonym
- IEM 2117 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.24 g/mol | CAS Common Chemistry |
| 181.238 g/mol | RDKit | |
| Canonical SMILES | NC1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OUGMRQJTULXVDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64 °C | CAS Common Chemistry |
| Name | Fluoren-9-amine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.7151000000000005 | RDKit |
| 2.7151 | RDKit | |
| Molar Refractivity | 57.90840000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 181.089149352 g/mol | RDKit |
| Boiling Point | 136 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 181.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11N.
