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N-[2-(isoquinoline-5-sulfonamido)ethyl]guanidine hydrochloride

N-[2-(isoquinoline-5-sulfonamido)ethyl]guanidine hydrochloride

CAS: 92564-34-6

Formula: C12H16ClN5O2S

SMILES: Cl.NC(=N)NCCNS(=O)(=O)C1=CC=CC2=CN=CC=C12

IUPAC: N-[2-(isoquinoline-5-sulfonamido)ethyl]guanidine hydrochloride

InChI: InChI=1S/C12H15N5O2S.ClH/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11;/h1-5,8,17H,6-7H2,(H4,13,14,16);1H

Composition: C (43.70%), H (4.89%), Cl (10.75%), N (21.24%), O (9.70%), S (9.72%)

Molar Mass: 329.8

Atom Count: 37

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 329.0713236
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey GUGJQAFPKZZOIV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.07
Topological Polar Surface Area 120.96
Polarizability 30.74
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
98% <4 Days 92564-34-6 Quote Only