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Home > Imidazoles > 141691-98-7
141691-98-7 | 1H-Imidazole-5-methanol, 1-butyl-2-methyl-
CAS No: 141691-98-7 Catalog No: AG001GWS MDL No:
Product Description
Catalog Number:
AG001GWS
Chemical Name:
1H-Imidazole-5-methanol, 1-butyl-2-methyl-
CAS Number:
141691-98-7
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
IUPAC Name:
(3-butyl-2-methylimidazol-4-yl)methanol
InChI:
InChI=1S/C9H16N2O/c1-3-4-5-11-8(2)10-6-9(11)7-12/h6,12H,3-5,7H2,1-2H3
InChI Key:
UZFLEGLAPZSDGY-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)ncc1CO
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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