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105685-17-4 | Isoquinoline, 5-(1-piperazinyl)-
CAS No: 105685-17-4 Catalog No: AG007DKT MDL No:
Product Description
Catalog Number:
AG007DKT
Chemical Name:
Isoquinoline, 5-(1-piperazinyl)-
CAS Number:
105685-17-4
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
IUPAC Name:
5-piperazin-1-ylisoquinoline
InChI:
InChI=1S/C13H15N3/c1-2-11-10-15-5-4-12(11)13(3-1)16-8-6-14-7-9-16/h1-5,10,14H,6-9H2
InChI Key:
MUBNVVQOLQPCFS-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cccc2c1ccnc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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