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936643-77-5 | 6-piperazin-1-yl-Isoquinoline (hydrochloride)
CAS No: 936643-77-5 Catalog No: AG006EO5 MDL No:MFCD08062212
Product Description
Catalog Number:
AG006EO5
Chemical Name:
6-piperazin-1-yl-Isoquinoline (hydrochloride)
CAS Number:
936643-77-5
Molecular Formula:
C13H16ClN3
Molecular Weight:
249.7392
MDL Number:
MFCD08062212
IUPAC Name:
6-piperazin-1-ylisoquinoline;hydrochloride
InChI:
InChI=1S/C13H15N3.ClH/c1-2-13(16-7-5-14-6-8-16)9-11-3-4-15-10-12(1)11;/h1-4,9-10,14H,5-8H2;1H
InChI Key:
OUVGBAINNXZQCQ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc2c(c1)cncc2.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.742g/mol
Monoisotopic Mass:
249.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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