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40511-31-7 | 1-butyl-4-(3,4-dimethoxyphenyl)-1h-imidazole hydrochloride(1:1)
CAS No: 40511-31-7 Catalog No: AG0076YK MDL No:
Product Description
Catalog Number:
AG0076YK
Chemical Name:
1-butyl-4-(3,4-dimethoxyphenyl)-1h-imidazole hydrochloride(1:1)
CAS Number:
40511-31-7
Molecular Formula:
C15H21ClN2O2
Molecular Weight:
296.7924
IUPAC Name:
1-butyl-4-(3,4-dimethoxyphenyl)imidazole;hydrochloride
InChI:
InChI=1S/C15H20N2O2.ClH/c1-4-5-8-17-10-13(16-11-17)12-6-7-14(18-2)15(9-12)19-3;/h6-7,9-11H,4-5,8H2,1-3H3;1H
InChI Key:
LGYPUISWZCHRRV-UHFFFAOYSA-N
SMILES:
CCCCn1cnc(c1)c1ccc(c(c1)OC)OC.Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.795g/mol
Monoisotopic Mass:
296.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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