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Molecule
1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-Hexamethyl-, Iodide (1:2)
CAS: 1420-40-2 · C16H38I2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1420-40-2
- Molecular Formula
- C16H38I2N2
- Molecular Mass
- 512.30 g/mol
Identifiers
CAS Registry Number
1420-40-2
SMILES
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[I-].[I-]
InChI Key
ARMLJSXXXFXSLQ-UHFFFAOYSA-L
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
Names and Synonyms
- 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-Hexamethyl-, Iodide (1:2) Systematic Name
- 1,10-Decanediaminium, N1,N1,N1,N10,N10,N10-hexamethyl-, iodide (1:2) Synonym
- Ammonium, decamethylenebis[trimethyl-, diiodide Synonym
- 1,10-Decanediaminium, N,N,N,N′,N′,N′-hexamethyl-, diiodide Synonym
- Ammonium, decamethylenebis[trimethyl- iodide] Synonym
- Decamethylenebis(trimethylammonium) iodide Synonym
- Decamethonium iodide Synonym
- Eulissin A Synonym
- Procuran Synonym
- Eulixine Synonym
- Decamethionium iodide Synonym
- Decamethonium diiodide Synonym
- Decamethylenebis(trimethylammonium) diiodide Synonym
- N1,N1,N1,N10,N10,N10-Hexamethyldecane-1,10 diaminium iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 512.30 g/mol | CAS Common Chemistry |
| 512.3019999999999 g/mol | RDKit | |
| 512.302 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 |
| -2.4724 | RDKit | |
| Molar Refractivity | 82.73480000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 512.112445216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
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 = 512.30 g/mol. Edit any field — others recompute live.
