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82117-35-9 | Isoquinoline,3-(1-piperazinyl)-
CAS No: 82117-35-9 Catalog No: AG008JQD MDL No:MFCD09880273
Product Description
Catalog Number:
AG008JQD
Chemical Name:
Isoquinoline,3-(1-piperazinyl)-
CAS Number:
82117-35-9
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
MDL Number:
MFCD09880273
IUPAC Name:
3-piperazin-1-ylisoquinoline
InChI:
InChI=1S/C13H15N3/c1-2-4-12-10-15-13(9-11(12)3-1)16-7-5-14-6-8-16/h1-4,9-10,14H,5-8H2
InChI Key:
PJPJVTSCAFZBGN-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ncc2c(c1)cccc2
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:
1.9
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