Back to Search
Acridine Orange
CAS: 494-38-2 | C17H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
494-38-2
Molecular Formula:
C17H19N3
Molecular Mass:
265.36 g/mol
Names and Synonyms:
Acridine Orange
3,6-Acridinediamine, N3,N3,N6,N6-tetramethyl-
Acridine, 3,6-bis(dimethylamino)-
3,6-Acridinediamine, N,N,N′,N′-tetramethyl-
N3,N3,N6,N6-Tetramethyl-3,6-acridinediamine
C.I. 46005B
Brilliant Acridine Orange E
C.I. Solvent Orange 15
3,6-Di(dimethylamino)acridine
Waxoline Orange A
3,6-Bis(dimethylamino)acridine
Acridine Orange base
Acridine orange free base
NSC 194350
Solvent Orange 15
3-N,3-N,6-N,6-N-Tetramethylacridine-3,6-diamine
Identifiers:
SMILES:
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1
InChI:
InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
Key Properties
Melting Point
181-182 °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 | 265.36 g/mol | CAS Common Chemistry |
| 265.35999999999996 g/mol | RDKit | |
| 265.157897608 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acridine_orange | CAS Common Chemistry |
| Canonical SMILES | N=1C=2C=C(C=CC2C=C3C=CC(=CC13)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DPKHZNPWBDQZCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 181-182 °C | CAS Common Chemistry |
| Name | Acridine Orange base | CAS Common Chemistry |
| Acridine orange | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 19.37 Ų | RDKit |
| LogP | 3.5200000000000022 | RDKit |
| Molar Refractivity | 87.90300000000005 | RDKit |
