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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
Names and Synonyms:
2-Aminoanthracene
2-Anthracenamine
2-Anthramine
2-Aminoanthracene
2-Anthracylamine
2-Anthrylamine
β-Aminoanthracene
NSC 400535
(Anthracen-2-yl)amine
Identifiers:
SMILES:
Nc1ccc2cc3ccccc3cc2c1
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
Key Properties
Melting Point
238-241 °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 | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| 193.089149352 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 |
| Molar Refractivity | 65.86640000000001 | RDKit |
