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NSC 23925 100mg

CAT: 0628-A17049-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A17049-100Size:100 mg
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CAS Number
858474-14-3

Chemical Information

(2-(4-Methoxyphenyl)quinolin-4-yl)(piperidin-2-yl)methanol dihydrochloride
CAS Number858474-14-3
PubChem CID91885392
IUPAC Name[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-2-ylmethanol;dihydrochloride
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.4
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity438
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O.Cl.Cl
InChI
InChI=1S/C22H24N2O2.2ClH/c1-26-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)24-21)22(25)20-8-4-5-13-23-20;;/h2-3,6-7,9-12,14,20,22-23,25H,4-5,8,13H2,1H3;2*1H
InChIKey
WGWOQHWZXLGPNG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(4-Methoxyphenyl)quinolin-4-yl)(piperidin-2-yl)methanol dihydrochloride
CAS: 858474-14-3
CID: 91885392
Formula: C22H26Cl2N2O2
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass420.1371335
Monoisotopic Mass420.1371335
Topological Polar Surface Area54.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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