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131060-08-7 | Quinoline, 2-[4-(3-chloropropyl)-1-piperazinyl]-
CAS No: 131060-08-7 Catalog No: AG000VGK MDL No:
Product Description
Catalog Number:
AG000VGK
Chemical Name:
Quinoline, 2-[4-(3-chloropropyl)-1-piperazinyl]-
CAS Number:
131060-08-7
Molecular Formula:
C16H20ClN3
Molecular Weight:
289.8031
IUPAC Name:
2-[4-(3-chloropropyl)piperazin-1-yl]quinoline
InChI:
InChI=1S/C16H20ClN3/c17-8-3-9-19-10-12-20(13-11-19)16-7-6-14-4-1-2-5-15(14)18-16/h1-2,4-7H,3,8-13H2
InChI Key:
SABCCZAHTZTCNO-UHFFFAOYSA-N
SMILES:
ClCCCN1CCN(CC1)c1ccc2c(n1)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.807g/mol
Monoisotopic Mass:
289.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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