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HBX 19818 25mg

CAT: 0628-A21049-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A21049-25Size:25 mg
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CAS Number
1426944-49-1

Chemical Information

N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CAS Number1426944-49-1
PubChem CID73349008
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
Molecular FormulaC25H28ClN3O
Molecular Weight422.0
XLogP5.2
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity553
SMILES
CN(CCCNC(=O)C1=CC2=C(C=C1)N=C3CCCCC3=C2Cl)CC4=CC=CC=C4
InChI
InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-23-21(16-19)24(26)20-10-5-6-11-22(20)28-23/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)
InChIKey
ZCALMLVWZSQGGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CAS: 1426944-49-1
CID: 73349008
Formula: C25H28ClN3O
MW: 422.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.0
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass421.1920902
Monoisotopic Mass421.1920902
Topological Polar Surface Area45.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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