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126921-46-8 | Isoquinoline, 1-[2-(4-phenyl-1-piperazinyl)ethyl]-
CAS No: 126921-46-8 Catalog No: AG000TGM MDL No:
Product Description
Catalog Number:
AG000TGM
Chemical Name:
Isoquinoline, 1-[2-(4-phenyl-1-piperazinyl)ethyl]-
CAS Number:
126921-46-8
Molecular Formula:
C21H23N3
Molecular Weight:
317.4274
IUPAC Name:
1-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline
InChI:
InChI=1S/C21H23N3/c1-2-7-19(8-3-1)24-16-14-23(15-17-24)13-11-21-20-9-5-4-6-18(20)10-12-22-21/h1-10,12H,11,13-17H2
InChI Key:
AJAAZIPDXVNTLB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCN(CC1)CCc1nccc2c1cccc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.436g/mol
Monoisotopic Mass:
317.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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