| CAS Number | 7206-39-5 |
| Catalog Number | AG005Z8A(AGN-PC-001ZP8) |
| Chemical Name | 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, iodide |
| IUPAC Name | dimethyl(dioctadecyl)azanium;iodide |
| InChI | InChI=1S/C38H80N.HI/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1 |
| InChI Key | MSSPASWTWTZPQU-UHFFFAOYSA-M |
| MDL Number | MFCD22041648 |
| Molecular Formula | C38H80IN |
| Molecular Weight | 677.9530 |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[I-] |
| Synonyms | Dimethyldioctadecylammonium Iodide,
7206-39-5,
ACMC-209olk,
SCHEMBL955745,
Dimethyldistearylammonium Iodide,
DimethyldioctadecylammoniumIodide,
CTK2G2385,
DTXSID60562290,
KS-000016NZ,
ANW-36150,
TC-124895,
D4124,
N,N-Dimethyl-N-octadecyloctadecan-1-aminium iodide,
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, iodide,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 677.534g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 677.969g/mol |
| Monoisotopic Mass | 677.534g/mol |
| Rotatable Bond Count | 34 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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UN Code
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Certificate of Analysis
Lot Number