| CAS Number | 773817-02-0 |
| Catalog Number | AG0053XR(AGN-PC-0WB5DG) |
| Chemical Name | 2-(Chloromethyl)-1-isopropyl-1H-imidazole |
| IUPAC Name | 2-(chloromethyl)-1-propan-2-ylimidazole |
| InChI | InChI=1S/C7H11ClN2/c1-6(2)10-4-3-9-7(10)5-8/h3-4,6H,5H2,1-2H3 |
| InChI Key | IYODRPGFQSPFCK-UHFFFAOYSA-N |
| MDL Number | MFCD08668153 |
| Molecular Formula | C7H11ClN2 |
| Molecular Weight | 158.6286 |
| SMILES | CC(N1C=CN=C1CCl)C |
| Synonyms | 773817-02-0,
2-(CHLOROMETHYL)-1-ISOPROPYL-1H-IMIDAZOLE,
2-(chloromethyl)-1-(propan-2-yl)-1H-imidazole,
2-CHLOROMETHYL-1-ISOPROPYL-1H-IMIDAZOLE,
SCHEMBL859290,
1H-Imidazole, 2-(chloromethyl)-1-(1-methylethyl)-,
CTK5E4342,
DTXSID40439890,
IYODRPGFQSPFCK-UHFFFAOYSA-N,
MFCD08668153,
ZINC33414637,
AKOS006240278,
AJ-85991,
AM101266,
1-Isopropyl-2-(chloromethyl)-1H-imidazole,
Y-4007,
2-(Chloromethyl)-1-isopropyl-1H-imidazole, AldrichCPR,
CID10441950,
2-(chloromethyl)-1-propan-2-yl-imidazole,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.629g/mol |
| Monoisotopic Mass | 158.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H317
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Packing Group
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\N
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Precautionary statements
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P280
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UN Code
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\N
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Certificate of Analysis
Lot Number