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Dimethisoquin Hydrochloride

CAT: 0024-sc-498392Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-498392Size:10 mg
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CAS Number
2773-92-4

Chemical Information

Dimethisoquin Hydrochloride
CAS Number2773-92-4
PubChem CID9883104
IUPAC Name2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
Molecular FormulaC17H25ClN2O
Molecular Weight308.8
Topological Polar Surface Area25.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity270
SMILES
CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C.Cl
InChI
InChI=1S/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H
InChIKey
SEYCAKMZVYADRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethisoquin Hydrochloride
CAS: 2773-92-4
CID: 9883104
Formula: C17H25ClN2O
MW: 308.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass308.1655411
Monoisotopic Mass308.1655411
Topological Polar Surface Area25.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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