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Home > Quinoline > 1245646-84-7
1245646-84-7 | Quinoline, 2-(1-piperazinyl)-, hydrochloride (1:1)
CAS No: 1245646-84-7 Catalog No: AG000MAU MDL No:MFCD11113034
Product Description
Catalog Number:
AG000MAU
Chemical Name:
Quinoline, 2-(1-piperazinyl)-, hydrochloride (1:1)
CAS Number:
1245646-84-7
Molecular Formula:
C13H16ClN3
Molecular Weight:
249.7392
MDL Number:
MFCD11113034
IUPAC Name:
2-piperazin-1-ylquinoline;hydrochloride
InChI:
InChI=1S/C13H15N3.ClH/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;/h1-6,14H,7-10H2;1H
InChI Key:
BWKBOZBYECIGSP-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc2c(n1)cccc2.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
Literature
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