(2-butyl-4-chloro-1H-imidazol-5-yl)methanol


Chemical Name: (2-butyl-4-chloro-1H-imidazol-5-yl)methanol
CAS Number: 79047-41-9
Product Number: AG003BME(AGN-PC-0KK798)
Synonyms:
MDL No:
Molecular Formula: C8H13ClN2O
Molecular Weight: 188.6546

Identification/Properties


Properties
MP:
147-151 °C(lit.)
BP:
407.7 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
188.655g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
188.072g/mol
Monoisotopic Mass:
188.072g/mol
Topological Polar Surface Area:
48.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
134
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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