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146953-87-9 | 1H-Imidazole, 4-butyl-5-(phenylmethyl)-
CAS No: 146953-87-9 Catalog No: AG001EHJ MDL No:
Product Description
Catalog Number:
AG001EHJ
Chemical Name:
1H-Imidazole, 4-butyl-5-(phenylmethyl)-
CAS Number:
146953-87-9
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
5-benzyl-4-butyl-1H-imidazole
InChI:
InChI=1S/C14H18N2/c1-2-3-9-13-14(16-11-15-13)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,15,16)
InChI Key:
PPXHSCDLAZGQKX-UHFFFAOYSA-N
SMILES:
CCCCc1nc[nH]c1Cc1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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