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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
Names and Synonyms:
Fluoren-9-Amine
9H-Fluoren-9-amine
Fluoren-9-amine
9-Aminofluorene
Fluoren-9-ylamine
9-Amino-9H-fluorene
IEM 2117
Identifiers:
SMILES:
NC1c2ccccc2-c2ccccc21
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
Key Properties
Boiling Point
136 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
64 °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 | 181.24 g/mol | CAS Common Chemistry |
| 181.238 g/mol | RDKit | |
| 181.089149352 g/mol | RDKit | |
| Boiling Point | 136 °C @ Press: 2 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 57.90840000000002 | RDKit |
