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1803587-27-0

1803587-27-0 | 5-(piperidin-4-yl)isoquinoline dihydrochloride

CAS No: 1803587-27-0 Catalog No: AG01BDWW MDL No:MFCD28063943

Product Description

Catalog Number:
AG01BDWW
Chemical Name:
5-(piperidin-4-yl)isoquinoline dihydrochloride
CAS Number:
1803587-27-0
Molecular Formula:
C14H18Cl2N2
Molecular Weight:
285.2121
MDL Number:
MFCD28063943
IUPAC Name:
5-piperidin-4-ylisoquinoline;dihydrochloride
InChI:
InChI=1S/C14H16N2.2ClH/c1-2-12-10-16-9-6-14(12)13(3-1)11-4-7-15-8-5-11;;/h1-3,6,9-11,15H,4-5,7-8H2;2*1H
InChI Key:
AIFIKOKPZKQZKY-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1cccc2c1ccnc2.Cl.Cl

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.085g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
285.212g/mol
Monoisotopic Mass:
284.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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