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936643-79-7 | 8-(1-piperazinyl)-isoquinoline HCl
CAS No: 936643-79-7 Catalog No: AG00GTCA MDL No:MFCD08062210
Product Description
Catalog Number:
AG00GTCA
Chemical Name:
8-(1-piperazinyl)-isoquinoline HCl
CAS Number:
936643-79-7
Molecular Formula:
C13H16ClN3
Molecular Weight:
249.7392
MDL Number:
MFCD08062210
IUPAC Name:
8-piperazin-1-ylisoquinoline;hydrochloride
InChI:
InChI=1S/C13H15N3.ClH/c1-2-11-4-5-15-10-12(11)13(3-1)16-8-6-14-7-9-16;/h1-5,10,14H,6-9H2;1H
InChI Key:
YVWCXIWRPWMSQE-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cccc2c1cncc2.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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