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Acridine
CAS: 260-94-6 | C13H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
260-94-6
Molecular Formula:
C13H9N
Molecular Mass:
179.22 g/mol
Names and Synonyms:
Acridine
Acridine
9-Azaanthracene
2,3-Benzoquinoline
NSC 3408
10-Azaanthracene
Benzo[b]quinoline
Dibenzo[b,e]pyridine
Identifiers:
SMILES:
c1ccc2nc3ccccc3cc2c1
InChI:
InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
Key Properties
Boiling Point
345.5 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
108 °C
CAS Common Chemistry
Density
1.01 g/cm³
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 | 179.22 g/mol | CAS Common Chemistry |
| 179.22199999999998 g/mol | RDKit | |
| 179.073499288 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.005 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acridine | CAS Common Chemistry |
| Boiling Point | 345.5 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=2C=CC=CC2C=C3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=DZBUGLKDJFMEHC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108 °C | CAS Common Chemistry |
| Name | Acridine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 3.3880000000000017 | RDKit |
| Molar Refractivity | 59.24900000000002 | RDKit |
