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Home > Quinoline > 936233-02-2
936233-02-2 | (S) 5-(3-Isopropyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride
CAS No: 936233-02-2 Catalog No: AG00GUYI MDL No:
Product Description
Catalog Number:
AG00GUYI
Chemical Name:
(S) 5-(3-Isopropyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride
CAS Number:
936233-02-2
IUPAC Name:
5-[(3S)-3-propan-2-ylpiperazin-1-yl]sulfonylisoquinoline;dihydrochloride
InChI:
InChI=1S/C16H21N3O2S.2ClH/c1-12(2)15-11-19(9-8-18-15)22(20,21)16-5-3-4-13-10-17-7-6-14(13)16;;/h3-7,10,12,15,18H,8-9,11H2,1-2H3;2*1H/t15-;;/m1../s1
InChI Key:
XBSRHKTXMVRDKY-QCUBGVIVSA-N
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
391.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
392.339g/mol
Monoisotopic Mass:
391.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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