| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM55406536-2 |
| Product Name | 3-Iodo-2-propynyl butylcarbamate |
| CAS | 55406-53-6 |
| Structure |  |
| Synonyms | Iodocarb |
| IUPAC Name | 3-Iodoprop-2-ynyl N-butylcarbamate |
| Molecular Weight | 281.09 |
| Molecular Formula | C8H12INO2 |
| Canonical SMILES | CCCCNC(=O)OCC#CI |
| InChI | InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11) |
| InChIKey | WYVVKGNFXHOCQV-UHFFFAOYSA-N |
| Boiling Point | 321.8±25.0 °C |
| Melting Point | 65-68 °C |
| Purity | 98%+ |
| Density | 1.606±0.06 g/cm3 |
| Complexity | 192 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.99128 |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 280.99128 |
| Physical State | White crystalline powder |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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