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Cis-N-Feruloyloctopamine

CAT: 1410-M39234-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Cis-N-Feruloyloctopamine
CAS Number
180050-83-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
329.4
Molecular Formula
C18H19NO5
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Cis-N-Feruloyloctopamine

Cis-N-Feruloyloctopamine has been reported in Lycium chinense with data available.

CAS Number180050-83-3
PubChem CID68976271
IUPAC Name(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Molecular FormulaC18H19NO5
Molecular Weight329.3
XLogP1.8
Topological Polar Surface Area99
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity420
SMILES
COC1=C(C=CC(=C1)/C=C\C(=O)NCC(C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3-
InChIKey
VJSCHQMOTSXAKB-OQFOIZHKSA-N
Chemical Structure
2D Structure
2D structure of Cis-N-Feruloyloctopamine
CAS: 180050-83-3
CID: 68976271
Formula: C18H19NO5
MW: 329.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.3
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass329.12632271
Monoisotopic Mass329.12632271
Topological Polar Surface Area99 Ų
Heavy Atom Count24
Formal Charge0
Complexity420
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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