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N-trans-Feruloyltyramine

CAT: 1407-AB0926Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB0926Size:20 mg
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CAS Number
66648-43-9
Purity
98% (HPLC)
Molecular Formula
C18H19NO4
Molecular Weight
313.353

Chemical Information

Feruloyltyramine

N-feruloyltyramine is a member of tyramines. It has a role as a metabolite.

CAS Number66648-43-9
PubChem CID5280537
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Molecular FormulaC18H19NO4
Molecular Weight313.3
XLogP2.1
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity390
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
InChIKey
NPNNKDMSXVRADT-WEVVVXLNSA-N
Chemical Structure
2D Structure
2D structure of Feruloyltyramine
CAS: 66648-43-9
CID: 5280537
Formula: C18H19NO4
MW: 313.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.3
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass313.13140809
Monoisotopic Mass313.13140809
Topological Polar Surface Area78.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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