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Molecule
2,7-Diaminofluorene
CAS: 525-64-4 · C13H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 525-64-4
- Molecular Formula
- C13H12N2
- Molecular Mass
- 196.25 g/mol
Identifiers
CAS Registry Number
525-64-4
SMILES
Nc1ccc2c(c1)Cc1cc(N)ccc1-2
InChI Key
SNCJAJRILVFXAE-UHFFFAOYSA-N
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
Names and Synonyms
- 2,7-Diaminofluorene Synonym
- 9H-Fluorene-2,7-diamine Synonym
- Fluorene-2,7-diamine Synonym
- 2,7-Diaminofluorene Synonym
- NSC 12277 Synonym
- 2,7-Diamino-9H-fluorene Synonym
- 2,7-Aminofluorene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.25 g/mol | CAS Common Chemistry |
| 196.25300000000001 g/mol | RDKit | |
| 196.253 g/mol | RDKit | |
| 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 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 196.100048384 g/mol | RDKit |
| Boiling Point | 161 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 196.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12N2.
