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Home > Imidazoles > 37455-52-0
37455-52-0 | 1H-Imidazole,2-methyl-5-(1-methylethyl)-
CAS No: 37455-52-0 Catalog No: AG0079QI MDL No:MFCD06410804
Product Description
Catalog Number:
AG0079QI
Chemical Name:
1H-Imidazole,2-methyl-5-(1-methylethyl)-
CAS Number:
37455-52-0
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD06410804
IUPAC Name:
2-methyl-5-propan-2-yl-1H-imidazole
InChI:
InChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5H,1-3H3,(H,8,9)
InChI Key:
FWNOUILZZKVNQJ-UHFFFAOYSA-N
SMILES:
CC(c1c[nH]c(n1)C)C
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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