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Molecule
2-Amino-9H-Fluoren-9-One
CAS: 3096-57-9 · C13H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3096-57-9
- Molecular Formula
- C13H9NO
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
3096-57-9
SMILES
Nc1ccc2c(c1)C(=O)c1ccccc1-2
InChI Key
SJODITPGMMSNRF-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2
Names and Synonyms
- 2-Amino-9H-Fluoren-9-One Synonym
- 9H-Fluoren-9-one, 2-amino- Synonym
- Fluoren-9-one, 2-amino- Synonym
- 2-Amino-9H-fluoren-9-one Synonym
- 2-Aminofluoren-9-one Synonym
- 2-Aminofluorenone Synonym
- NSC 12368 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.221 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C=3C=CC(N)=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SJODITPGMMSNRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160 °C | CAS Common Chemistry |
| Name | 2-Amino-9H-fluoren-9-one | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 2.480200000000001 | RDKit |
| 2.4802 | RDKit | |
| Molar Refractivity | 59.72290000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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 = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9NO.
