| CAS Number | 343851-31-0 |
| Catalog Number | AG007FXQ(AGN-PC-0JD56M) |
| Chemical Name | 1H-Imidazolium, 1-methyl-3-pentyl-, bromide |
| IUPAC Name | 1-methyl-3-pentylimidazol-1-ium;bromide |
| InChI | InChI=1S/C9H17N2.BrH/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-9H,3-6H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | PXFKRXXEFJDOMO-UHFFFAOYSA-M |
| MDL Number | MFCD19382537 |
| Molecular Formula | C9H17BrN2 |
| Molecular Weight | 233.1487 |
| SMILES | CCCCC[N+]1=CN(C)C=C1.[Br-] |
| Synonyms | 1-methyl-3-pentylimidazolium bromide,
343851-31-0,
SCHEMBL820742,
PXFKRXXEFJDOMO-UHFFFAOYSA-M,
1-amyl-3-methylimidazolium bromide,
1-pentyl-3-methylimidazolium bromide,
MFCD19382537,
M3037,
1-Methyl-3-pentyl-1H-imidazol-3-ium Bromide,
1-methyl-3-pentyl-imidazole Bromide,
CID10537569,
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| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.153g/mol |
| Monoisotopic Mass | 232.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 8.8A^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