| CAS Number | 799246-95-0 |
| Catalog Number | AG0054WH(AGN-PC-0JDZCG) |
| Chemical Name | 1H-Imidazolium, 1-hexadecyl-3-methyl-, nitrate |
| IUPAC Name | 1-hexadecyl-3-methyl-1,2-dihydroimidazol-1-ium;nitrate |
| InChI | InChI=1S/C20H40N2.NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3)4/h18-19H,3-17,20H2,1-2H3;/q;-1/p+1 |
| InChI Key | XGGDBJWDVICTAM-UHFFFAOYSA-O |
| MDL Number | MFCD19442815 |
| Molecular Formula | C20H39N3O3 |
| Molecular Weight | 369.5420 |
| SMILES | C[N+]1=CN(CCCCCCCCCCCCCCCC)C=C1.[O-][N+]([O-])=O |
| Synonyms | 1H-Imidazolium, 1-hexadecyl-3-methyl-, nitrate,
799246-95-0,
CTK2G3295,
DTXSID60823439,
1-Hexadecyl-3-methyl-2,3-dihydro-1H-imidazol-1-ium nitrate,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.315g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.566g/mol |
| Monoisotopic Mass | 371.315g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
|
5.1
|
|
Hazard statements
|
H272-H315-H319
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P210-P220-P221-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
|
|
UN Code
|
UN 1479
|
Certificate of Analysis
Lot Number