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Dehydropipernonaline

CAT: 0931-T126447-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T126447-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107584-38-3
Target
Antifungal, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
Dehydropipernonaline is a useful organic compound for research related to life sciences. The catalog number is T126447 and the CAS number is 107584-38-3.
Smiles
O=C(\C=C\C=C\CC\C=C\c1ccc2OCOc2c1)N1CCCCC1
Molecular Formula
C21H25NO3
Molecular Weight
339.435
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dehydropipernonaline

Dehydropipernonaline is a member of benzodioxoles.

CAS Number107584-38-3
PubChem CID6439947
IUPAC Name(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
Molecular FormulaC21H25NO3
Molecular Weight339.4
XLogP4.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity505
SMILES
C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
InChIKey
KAYVDASZRFLFRZ-PQECNABGSA-N
Chemical Structure
2D Structure
2D structure of Dehydropipernonaline
CAS: 107584-38-3
CID: 6439947
Formula: C21H25NO3
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass339.18344366
Monoisotopic Mass339.18344366
Topological Polar Surface Area38.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5791890Dehydropipernonaline

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