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2,7-Diaminofluorene
CAS: 525-64-4 | C13H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
525-64-4
Molecular Formula:
C13H12N2
Molecular Mass:
196.25 g/mol
Names and Synonyms:
2,7-Diaminofluorene
9H-Fluorene-2,7-diamine
Fluorene-2,7-diamine
2,7-Diaminofluorene
NSC 12277
2,7-Diamino-9H-fluorene
2,7-Aminofluorene
Identifiers:
SMILES:
Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChI:
InChI=1S/C13H12N2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,14-15H2
Key Properties
Boiling Point
161 °C @ Press: 5 Torr
CAS Common Chemistry
Melting Point
166 °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 | 196.25 g/mol | CAS Common Chemistry |
| 196.25300000000001 g/mol | RDKit | |
| 196.100048384 g/mol | RDKit | |
| Boiling Point | 161 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC=2C3=CC=C(N)C=C3CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12N2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5,14-15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SNCJAJRILVFXAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166 °C | CAS Common Chemistry |
| Name | 2,7-Diaminofluorene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.4222 | RDKit |
| Molar Refractivity | 63.50880000000001 | RDKit |
