J-8 hydrochloride

CAT: 0024-sc-505953Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-505953Size:5 mg

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CAS Number

187937-24-2

Chemical Information

J-8 hydrochloride

CAS Number	187937-24-2
PubChem CID	92040789
IUPAC Name	N-(8-aminooctyl)-5-iodonaphthalene-1-sulfonamide;hydrochloride
Molecular Formula	C18H26ClIN2O2S
Molecular Weight	496.8
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	25
Formal Charge	0
Complexity	452

SMILES

C1=CC2=C(C=CC=C2I)C(=C1)S(=O)(=O)NCCCCCCCCN.Cl

InChI

InChI=1S/C18H25IN2O2S.ClH/c19-17-11-7-10-16-15(17)9-8-12-18(16)24(22,23)21-14-6-4-2-1-3-5-13-20;/h7-12,21H,1-6,13-14,20H2;1H

InChIKey

UIFBJMOXMGXQGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 187937-24-2

CID: 92040789

Formula: C18H26ClIN2O2S

MW: 496.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	496.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	496.04482
Monoisotopic Mass	496.04482
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	452
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-221147	8-Isoquinolinemethanamine hydrochloride
sc-391289	8-Quinolinethiol hydrochloride
sc-221147A	8-Isoquinolinemethanamine hydrochloride
sc-210677	8-Desacetyl-8-carboxy Daunorubicin Hydrochloride
sc-288551A	2,8-Dimethylquinoline Hydrochloride
sc-288551	2,8-Dimethylquinoline Hydrochloride
sc-491520	8-Hydroxy Mianserin Hydrochloride
sc-291696	8-Chloro-4-hydrazinoquinoline hydrochloride
sc-391240	8-O-Benzyl Carmoterol Hydrochloride
sc-290344	4-Hydrazino-8-methylquinoline hydrochloride

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