Dioxethedrine Hydrochloride

CAT: 0024-sc-497897Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497897Size:5 mg

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CAS Number

22930-85-4

Chemical Information

Dioxethedrin hydrochloride

CAS Number	22930-85-4
PubChem CID	3015141
IUPAC Name	4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrochloride
Molecular Formula	C11H18ClNO3
Molecular Weight	247.72
Topological Polar Surface Area	72.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	189

SMILES

CCNC(C)C(C1=CC(=C(C=C1)O)O)O.Cl

InChI

InChI=1S/C11H17NO3.ClH/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8;/h4-7,11-15H,3H2,1-2H3;1H

InChIKey

FUJODHUUJJFEIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22930-85-4

CID: 3015141

Formula: C11H18ClNO3

MW: 247.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.72
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	247.0975211
Monoisotopic Mass	247.0975211
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	189
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-497904	Dioxethedrine-d5 Hydrochloride
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sc-397050	Todralazine hydrochloride
sc-203794A	A-7 hydrochloride
sc-202974A	Bepridil hydrochloride
sc-278836	Chlorcyclizine hydrochloride
sc-204863C	Propafenone Hydrochloride

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