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Nb-Feruloyltryptamine

CAT: 0931-TN6571Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6571Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53905-13-8
Bioactivity
Nb-Feruloyltryptamine is a natural product for research related to life sciences. The catalog number is TN6571 and the CAS number is 53905-13-8.
Smiles
COc1cc(C=CC(=O)NCCc2c[nH]c3ccccc23)ccc1O |w:6.6|
Molecular Formula
C20H20N2O3
Molecular Weight
336.391
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nb-Feruloyltryptamine

Nb-Feruloyltryptamine is a hydroxycinnamic acid.

CAS Number53905-13-8
PubChem CID641764
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Molecular FormulaC20H20N2O3
Molecular Weight336.4
XLogP3.3
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity468
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32)O
InChI
InChI=1S/C20H20N2O3/c1-25-19-12-14(6-8-18(19)23)7-9-20(24)21-11-10-15-13-22-17-5-3-2-4-16(15)17/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-7+
InChIKey
LWRQDNUXWLIWDB-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of Nb-Feruloyltryptamine
CAS: 53905-13-8
CID: 641764
Formula: C20H20N2O3
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass336.14739250
Monoisotopic Mass336.14739250
Topological Polar Surface Area74.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity468
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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