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1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-Hexamethyl-, Iodide (1:2)
CAS: 1420-40-2 | C16H38I2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1420-40-2
Molecular Formula:
C16H38I2N2
Molecular Mass:
512.30 g/mol
Names and Synonyms:
1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-Hexamethyl-, Iodide (1:2)
1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, iodide (1:2)
Ammonium, decamethylenebis[trimethyl-, diiodide
1,10-Decanediaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide
Ammonium, decamethylenebis[trimethyl- iodide]
Decamethylenebis(trimethylammonium) iodide
Decamethonium iodide
Eulissin A
Procuran
Eulixine
Decamethionium iodide
Decamethonium diiodide
Decamethylenebis(trimethylammonium) diiodide
N1,N1,N1,N10,N10,N10-Hexamethyldecane-1,10 diaminium iodide
Identifiers:
SMILES:
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
InChI:
InChI=1S/C16H38N2.2HI/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
Key Properties
Melting Point
231 °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 | 512.30 g/mol | CAS Common Chemistry |
| 512.3019999999999 g/mol | RDKit | |
| 512.112445216 g/mol | RDKit | |
| Canonical SMILES | [I-].C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H38N2.2HI/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ARMLJSXXXFXSLQ-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 231 °C | CAS Common Chemistry |
| Name | 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, iodide (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -2.4723999999999915 | RDKit |
| Molar Refractivity | 82.73480000000008 | RDKit |
