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Molecule
Acridine Orange
CAS: 494-38-2 · C17H19N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 494-38-2
- Molecular Formula
- C17H19N3
- Molecular Mass
- 265.36 g/mol
Identifiers
CAS Registry Number
494-38-2
SMILES
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1
InChI Key
DPKHZNPWBDQZCN-UHFFFAOYSA-N
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
Names and Synonyms
- Acridine Orange Common Name
- 3,6-Acridinediamine, N3,N3,N6,N6-tetramethyl- Synonym
- Acridine, 3,6-bis(dimethylamino)- Synonym
- 3,6-Acridinediamine, N,N,N′,N′-tetramethyl- Synonym
- N3,N3,N6,N6-Tetramethyl-3,6-acridinediamine Synonym
- C.I. 46005B Synonym
- Brilliant Acridine Orange E Synonym
- C.I. Solvent Orange 15 Synonym
- 3,6-Di(dimethylamino)acridine Synonym
- Waxoline Orange A Synonym
- 3,6-Bis(dimethylamino)acridine Synonym
- Acridine Orange base Synonym
- Acridine orange free base Synonym
- NSC 194350 Synonym
- Solvent Orange 15 Synonym
- 3-N,3-N,6-N,6-N-Tetramethylacridine-3,6-diamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.36 g/mol | CAS Common Chemistry |
| 265.35999999999996 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 |
| 18.38 Ų | chempirical lib | |
| LogP | 3.5200000000000022 | RDKit |
| 3.52 | RDKit | |
| Molar Refractivity | 87.90300000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 265.157897608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 265.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H19N3.
