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72649-87-7 | 1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1)
CAS No: 72649-87-7 Catalog No: AG005FO2 MDL No:
Product Description
Catalog Number:
AG005FO2
Chemical Name:
1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
72649-87-7
Molecular Formula:
C14H21ClN2
Molecular Weight:
252.7829
IUPAC Name:
2-[(2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
InChI:
InChI=1S/C14H20N2.ClH/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14;/h7H,5-6,8H2,1-4H3,(H,15,16);1H
InChI Key:
QPVJHMJCDNRCFC-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1C)CC1=NCCN1)C.Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.139g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.786g/mol
Monoisotopic Mass:
252.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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