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1306604-79-4 | 3-(piperazin-1-yl)quinoline dihydrochloride
CAS No: 1306604-79-4 Catalog No: AG01AIEX MDL No:MFCD18839040
Product Description
Catalog Number:
AG01AIEX
Chemical Name:
3-(piperazin-1-yl)quinoline dihydrochloride
CAS Number:
1306604-79-4
Molecular Formula:
C13H17Cl2N3
Molecular Weight:
286.2002
MDL Number:
MFCD18839040
IUPAC Name:
3-piperazin-1-ylquinoline;dihydrochloride
InChI:
InChI=1S/C13H15N3.2ClH/c1-2-4-13-11(3-1)9-12(10-15-13)16-7-5-14-6-8-16;;/h1-4,9-10,14H,5-8H2;2*1H
InChI Key:
CRYFWGJOUYIJKE-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cnc2c(c1)cccc2.Cl.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.2g/mol
Monoisotopic Mass:
285.08g/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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