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Molecule
2-Aminofluorene
CAS: 153-78-6 · C13H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 153-78-6
- Molecular Formula
- C13H11N
- Molecular Mass
- 181.24 g/mol
Identifiers
CAS Registry Number
153-78-6
SMILES
Nc1ccc2c(c1)Cc1ccccc1-2
InChI Key
CFRFHWQYWJMEJN-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
Names and Synonyms
- 2-Aminofluorene Synonym
- 9H-Fluoren-2-amine Synonym
- Fluoren-2-amine Synonym
- 2-Aminofluorene Synonym
- 2-Fluorenylamine Synonym
- N-2-Fluorenylamine Synonym
- NSC 12274 Synonym
- NSC 26328 Synonym
- 2-Amino-9H-fluorene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.24 g/mol | CAS Common Chemistry |
| 181.23800000000003 g/mol | RDKit | |
| 181.238 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Aminofluorene | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C2C=3C=CC=CC3CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CFRFHWQYWJMEJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131-132 °C | CAS Common Chemistry |
| Name | 2-Aminofluorene | 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 | 2.8400000000000016 | RDKit |
| 2.84 | RDKit | |
| Molar Refractivity | 59.09640000000002 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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 181.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11N.
