N1,N10-Bis(p-coumaroyl)spermidine

Catalog Number	ACM114916051
CAS Number	114916-05-1
Structure
Synonyms	2-Propenamide,3-(4-hydroxyphenyl)-N-[3-[[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino]propyl]-,(E,E)- (9CI)
Molecular Weight	437.5
InChI	InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9+
InChI Key	QYBCBMVQSCJMSA-VOMDNODZSA-N
Purity	95%+
Complexity	592
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	437.23145648
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	5
Isomeric SMILES	C1=CC(=CC=C1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O
Monoisotopic Mass	437.23145648
PhysicalState	Powder
Rotatable Bond Count	13
Topological Polar Surface Area	111 Ų

Custom Q&A

What is the product name of N1,N10-Bis(p-coumaroyl)spermidine?

The product name is N1,N10-Bis(p-coumaroyl)spermidine.

What are the synonyms for N1,N10-Bis(p-coumaroyl)spermidine?

The synonyms are 2-Propenamide,3-(4-hydroxyphenyl)-N-[3-[[4-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino]propyl]-,(E,E)- and N10-Bis(p-coumaroyl)spermidine.

What is the CAS number for N1,N10-Bis(p-coumaroyl)spermidine?

The CAS number is 114916-05-1.

What is the molecular formula of N1,N10-Bis(p-coumaroyl)spermidine?

The molecular formula is C25H31N3O4.

What is the molecular weight of N1,N10-Bis(p-coumaroyl)spermidine?

The molecular weight is 437.53.

What is the predicted boiling point of N1,N10-Bis(p-coumaroyl)spermidine?

The predicted boiling point is 776.2±60.0 °C.

What is the predicted density of N1,N10-Bis(p-coumaroyl)spermidine?

The predicted density is 1.0.06 g/cm3.

What is the predicted pka value of N1,N10-Bis(p-coumaroyl)spermidine?

The predicted pka value is 9.77±0.26.

How is N1,N10-Bis(p-coumaroyl)spermidine defined in ChEBI?

N1,N10-Bis(p-coumaroyl)spermidine is defined as a secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-coumaric acid.

What are some functional roles of N1,N10-Bis(p-coumaroyl)spermidine?

It is a plant metabolite, an enamide, a polyphenol, a secondary amino compound, and a secondary carboxamide.

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