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84468-16-6 | 5-Isoquinolinesulfonamide, N-(4-aminobutyl)-
CAS No: 84468-16-6 Catalog No: AG004W1Y MDL No:
Product Description
Catalog Number:
AG004W1Y
Chemical Name:
5-Isoquinolinesulfonamide, N-(4-aminobutyl)-
CAS Number:
84468-16-6
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
IUPAC Name:
N-(4-aminobutyl)isoquinoline-5-sulfonamide
InChI:
InChI=1S/C13H17N3O2S/c14-7-1-2-8-16-19(17,18)13-5-3-4-11-10-15-9-6-12(11)13/h3-6,9-10,16H,1-2,7-8,14H2
InChI Key:
FHRRATMJUOJBHY-UHFFFAOYSA-N
SMILES:
NCCCCNS(=O)(=O)c1cccc2c1ccnc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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