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Molecule
2-Aminoanthracene
CAS: 613-13-8 · C14H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 613-13-8
- Molecular Formula
- C14H11N
- Molecular Mass
- 193.25 g/mol
Identifiers
CAS Registry Number
613-13-8
SMILES
Nc1ccc2cc3ccccc3cc2c1
InChI Key
YCSBALJAGZKWFF-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
Names and Synonyms
- 2-Aminoanthracene Systematic Name
- 2-Anthracenamine Synonym
- 2-Anthramine Synonym
- 2-Aminoanthracene Synonym
- 2-Anthracylamine Synonym
- 2-Anthrylamine Synonym
- β-Aminoanthracene Synonym
- NSC 400535 Synonym
- (Anthracen-2-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| Canonical SMILES | NC=1C=CC2=CC=3C=CC=CC3C=C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YCSBALJAGZKWFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238-241 °C | CAS Common Chemistry |
| Name | 2-Aminoanthracene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.5752000000000015 | RDKit |
| 3.5752 | RDKit | |
| Molar Refractivity | 65.86640000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 193.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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40
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 = 193.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H11N.
