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247118-08-7 | Benzonitrile, 3-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 247118-08-7 Catalog No: AG002P66 MDL No:
Product Description
Catalog Number:
AG002P66
Chemical Name:
Benzonitrile, 3-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
247118-08-7
Molecular Formula:
C18H19N3
Molecular Weight:
277.3636
IUPAC Name:
3-(4-benzylpiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C18H19N3/c19-14-17-7-4-8-18(13-17)21-11-9-20(10-12-21)15-16-5-2-1-3-6-16/h1-8,13H,9-12,15H2
InChI Key:
FTZFSWIYQNWLJS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.371g/mol
Monoisotopic Mass:
277.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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