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Molecule
3,6-Acridinediamine, N3,N3,N6,N6-Tetramethyl-, Hydrochloride, Compd. With Zinc Chloride (Zncl2) (1:1:?)
CAS: 10127-02-3 · C17H20Cl3N3Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10127-02-3
- Molecular Formula
- C17H20Cl3N3Zn
- Molecular Mass
- 438.12 g/mol
Identifiers
CAS Registry Number
10127-02-3
SMILES
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1.Cl.[Cl-].[Cl-].[Zn+2]
InChI Key
VADJQOXWNSPOQA-UHFFFAOYSA-L
InChI
InChI=1S/C17H19N3.3ClH.Zn/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;3*1H;/q;;;;+2/p-2
Names and Synonyms
- 3,6-Acridinediamine, N3,N3,N6,N6-Tetramethyl-, Hydrochloride, Compd. With Zinc Chloride (Zncl2) (1:1:?) Synonym
- 3,6-Acridinediamine, N3,N3,N6,N6-tetramethyl-, hydrochloride, compd. with zinc chloride (ZnCl2) (1:1:?) Synonym
- Acridine, 3,6-bis(dimethylamino)-, monohydrochloride, compd. with zinc chloride Synonym
- 3,6-Acridinediamine, N,N,N′,N′-tetramethyl-, monohydrochloride, compd. with zinc chloride Synonym
- 3,6-Acridinediamine, N,N,N′,N′-tetramethyl-, monohydrochloride, compd. with zinc chloride (ZnCl2) Synonym
- Zinc chloride, compd. with 3,6-bis(dimethylamino)acridine monohydrochloride Synonym
- Zinc chloride, compd. with N,N,N′,N′-tetramethyl-3,6-acridinediamine monohydrochloride Synonym
- Zinc chloride (ZnCl2), compd. with N,N,N′,N′-tetramethyl-3,6-acridinediamine monohydrochloride Synonym
- Euchrysine 3RX Synonym
- N,N,N′,N′-Tetramethylacridine-3,6-diamine monohydrochloride compd. with zinc dichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 438.12 g/mol | CAS Common Chemistry |
| 438.11699999999996 g/mol | RDKit | |
| 438.117 g/mol | RDKit | |
| 442.13 g/mol | chempirical lib | |
| Canonical SMILES | Cl.Cl[Zn]Cl.N=1C=2C=C(C=CC2C=C3C=CC(=CC13)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H19N3.3ClH.Zn/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;3*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=VADJQOXWNSPOQA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | 3,6-Acridinediamine, N3,N3,N6,N6-tetramethyl-, hydrochloride, compd. with zinc chloride (ZnCl2) (1:1:?) | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | -2.052699999999997 | RDKit |
| -2.0527 | RDKit | |
| Molar Refractivity | 95.15100000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2353 | RDKit |
| 0.24 | chempirical lib | |
| Exact Mass | 435.00142287999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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.
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MW = 438.12 g/mol. Edit any field — others recompute live.
