N-p-Coumaroyl-N'-caffeoylputrescine

• Catalog Number: ACM1138156770
• Product Name: N-p-Coumaroyl-N'-caffeoylputrescine
• CAS: 1138156-77-0
• Category: Heterocyclic Organic Compound
• Synonyms: 3-(3,4-Dihydroxyphenyl)-N-[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]amino]butyl]-2-propenamide
• Molecular Weight: 396.4
• Molecular Formula: C₂₂H₂₄N₂O₅
• InChI: InChI=1S/C22H24N2O5/c25-18-8-3-16(4-9-18)6-11-21(28)23-13-1-2-14-24-22(29)12-7-17-5-10-19(26)20(27)15-17/h3-12,15,25-27H,1-2,13-14H2,(H,23,28)(H,24,29)/b11-6+,12-7+
• InChI Key: NDUQQMKMMARZRU-GNXRPPCSSA-N
• Density: 5mg 10mg 20 mg
• Complexity: 570
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 396.16852187
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 5
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
• Monoisotopic Mass: 396.16852187
• Physical Description: Powder
• Physical State: Powder
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 119 Ų