3-Iodo-2-propynyl butylcarbamate
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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