Carbamic acid, butyl-, 3-iodo-2-propynyl ester


Chemical Name: Carbamic acid, butyl-, 3-iodo-2-propynyl ester
CAS Number: 55406-53-6
Product Number: AG00I9VU(AGN-PC-0JL4U2)
Synonyms:
MDL No:
Molecular Formula: C8H12INO2
Molecular Weight: 281.0908

Identification/Properties


Properties
MP:
64-68 °C(lit.)
BP:
321.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
281.093g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
280.991g/mol
Monoisotopic Mass:
280.991g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
192
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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