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Home > Imidazoles > 113519-98-5
113519-98-5 | 1H-Imidazole, 4-methyl-5-pentyl-
CAS No: 113519-98-5 Catalog No: AG0008VU MDL No:
Product Description
Catalog Number:
AG0008VU
Chemical Name:
1H-Imidazole, 4-methyl-5-pentyl-
CAS Number:
113519-98-5
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
IUPAC Name:
5-methyl-4-pentyl-1H-imidazole
InChI:
InChI=1S/C9H16N2/c1-3-4-5-6-9-8(2)10-7-11-9/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
FYCATXYYLRJQCL-UHFFFAOYSA-N
SMILES:
CCCCCc1[nH]cnc1C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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