N-p-Coumaroyloctopamine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0308
CAS
66648-45-1
Product Name
N-p-Coumaroyloctopamine
Structure

Product Details

Description
N-p-Coumaroyloctopamine is a natural alkaloid found in the herbs of Datura arborea.
Synonyms
trans-N-(p-Coumaroyl)octopamine;OctopaMine, N-p-couMaroyl-
IUPAC Name
(E)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
Molecular Weight
299.32
Molecular Formula
C17H17NO4
Canonical SMILES
C1=CC(=CC=C1C=CC(=O)NCC(C2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C17H17NO4/c19-14-6-1-12(2-7-14)3-10-17(22)18-11-16(21)13-4-8-15(20)9-5-13/h1-10,16,19-21H,11H2,(H,18,22)/b10-3+
InChIKey
VATOSFCFMOPAHX-XCVCLJGOSA-N
Boiling Point
638.9±55.0°C (Predicted)
Melting Point
214 - 215 °C
Purity
>98%
Density
1.329±0.06 g/cm3(Predicted)
Appearance
Powder
Form
Powder
pKa
9.76±0.26(Predicted)
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