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1-[6-(ethanesulfonyl)pyridin-3-yl]methanamine hydrochloride

1-[6-(ethanesulfonyl)pyridin-3-yl]methanamine hydrochloride

CAS: 1817776-68-3

Formula: C8H13ClN2O2S

SMILES: Cl.CCS(=O)(=O)C1=NC=C(CN)C=C1

IUPAC: 1-[6-(ethanesulfonyl)pyridin-3-yl]methanamine hydrochloride

InChI: InChI=1S/C8H12N2O2S.ClH/c1-2-13(11,12)8-4-3-7(5-9)6-10-8;/h3-4,6H,2,5,9H2,1H3;1H

Composition: C (40.59%), H (5.54%), Cl (14.98%), N (11.83%), O (13.52%), S (13.54%)

Molar Mass: 236.71

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.0386265
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DHWDJRFTFMDDEM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.36
Topological Polar Surface Area 73.05
Polarizability 20.64
Ring Count 1
Rotatable Bond Count 3

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95% 1 Day 1817776-68-3 $578.34-$2,245.32$578.34$1,122.66$2,245.32
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