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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
Loading 3D structure...
Basic Information
CAS Registry Number:
10127-02-3
Molecular Formula:
C17H20Cl3N3Zn
Molecular Mass:
438.12 g/mol
Names and Synonyms:
3,6-Acridinediamine, N3,N3,N6,N6-Tetramethyl-, Hydrochloride, Compd. With Zinc Chloride (Zncl2) (1:1:?)
3,6-Acridinediamine, N3,N3,N6,N6-tetramethyl-, hydrochloride, compd. with zinc chloride (ZnCl2) (1:1:?)
Acridine, 3,6-bis(dimethylamino)-, monohydrochloride, compd. with zinc chloride
3,6-Acridinediamine, N,N,N′,N′-tetramethyl-, monohydrochloride, compd. with zinc chloride
3,6-Acridinediamine, N,N,N′,N′-tetramethyl-, monohydrochloride, compd. with zinc chloride (ZnCl2)
Zinc chloride, compd. with 3,6-bis(dimethylamino)acridine monohydrochloride
Zinc chloride, compd. with N,N,N′,N′-tetramethyl-3,6-acridinediamine monohydrochloride
Zinc chloride (ZnCl2), compd. with N,N,N′,N′-tetramethyl-3,6-acridinediamine monohydrochloride
Euchrysine 3RX
N,N,N′,N′-Tetramethylacridine-3,6-diamine monohydrochloride compd. with zinc dichloride
Identifiers:
SMILES:
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1.Cl.[Cl-].[Cl-].[Zn+2]
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
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 | 438.12 g/mol | CAS Common Chemistry |
| 438.11699999999996 g/mol | RDKit | |
| 435.00142287999995 g/mol | RDKit | |
| 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 |
| LogP | -2.052699999999997 | RDKit |
| Molar Refractivity | 95.15100000000004 | RDKit |
