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Home > Imidazoles > 136896-95-2
136896-95-2 | 1H-Imidazole, 5,5'-methylenebis[1-ethyl-2-methyl-
CAS No: 136896-95-2 Catalog No: AG0012JO MDL No:
Product Description
Catalog Number:
AG0012JO
Chemical Name:
1H-Imidazole, 5,5'-methylenebis[1-ethyl-2-methyl-
CAS Number:
136896-95-2
Molecular Formula:
C13H20N4
Molecular Weight:
232.3247
IUPAC Name:
1-ethyl-5-[(3-ethyl-2-methylimidazol-4-yl)methyl]-2-methylimidazole
InChI:
InChI=1S/C13H20N4/c1-5-16-10(3)14-8-12(16)7-13-9-15-11(4)17(13)6-2/h8-9H,5-7H2,1-4H3
InChI Key:
LRFFYMDSLYPEQH-UHFFFAOYSA-N
SMILES:
CCn1c(cnc1C)Cc1cnc(n1CC)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.169g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.331g/mol
Monoisotopic Mass:
232.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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