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31034-21-6 | 1H-Imidazole, 4,5-dimethyl-1-(phenylmethyl)-
CAS No: 31034-21-6 Catalog No: AG0031YU MDL No:
Product Description
Catalog Number:
AG0031YU
Chemical Name:
1H-Imidazole, 4,5-dimethyl-1-(phenylmethyl)-
CAS Number:
31034-21-6
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
1-benzyl-4,5-dimethylimidazole
InChI:
InChI=1S/C12H14N2/c1-10-11(2)14(9-13-10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChI Key:
MOHDDALAXSGGQZ-UHFFFAOYSA-N
SMILES:
Cc1ncn(c1C)Cc1ccccc1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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