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908292-89-7 | 4-(piperazin-1-yl)isoquinoline dihydrochloride
CAS No: 908292-89-7 Catalog No: AG01B1RP MDL No:MFCD27980969
Product Description
Catalog Number:
AG01B1RP
Chemical Name:
4-(piperazin-1-yl)isoquinoline dihydrochloride
CAS Number:
908292-89-7
Molecular Formula:
C13H17Cl2N3
Molecular Weight:
286.2002
MDL Number:
MFCD27980969
IUPAC Name:
4-piperazin-1-ylisoquinoline;dihydrochloride
InChI:
InChI=1S/C13H15N3.2ClH/c1-2-4-12-11(3-1)9-15-10-13(12)16-7-5-14-6-8-16;;/h1-4,9-10,14H,5-8H2;2*1H
InChI Key:
ANNNXHAPQXOPGZ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cncc2c1cccc2.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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