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78892-81-6 | 1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 78892-81-6 Catalog No: AG005OXA MDL No:
Product Description
Catalog Number:
AG005OXA
Chemical Name:
1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
78892-81-6
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
5-[(2,4,6-trimethylphenyl)methyl]-1H-imidazole
InChI:
InChI=1S/C13H16N2/c1-9-4-10(2)13(11(3)5-9)6-12-7-14-8-15-12/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChI Key:
UFNKBCQULKNTEN-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1Cc1nc[nH]c1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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