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2-Phenylmelatonin

CAT: 0607-B6404-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6404-50Size:50 mg
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Description
melatonin agonist
CAS Number
151889-03-1
Product Name Alternative
N-(2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl)acetamide
Field of Research
GPCR G protein Melatonin Receptors
Purity
0.98
Form
Off-white solid
Solubility
<30.84mg/ml in ethanol; <30.84mg/ml in DMSO
Smiles
O=C(C)NCCC(C1=C2)=C(C3=CC=CC=C3)NC1=CC=C2OC
Molecular Formula
C19H20N2O2
Molecular Weight
308.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-Phenylmelatonin

N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide is a phenylindole.

CAS Number151889-03-1
PubChem CID4018512
IUPAC NameN-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC19H20N2O2
Molecular Weight308.4
XLogP3.3
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity395
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKey
OFCLARYYBGKCHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylmelatonin
CAS: 151889-03-1
CID: 4018512
Formula: C19H20N2O2
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass308.152477885
Monoisotopic Mass308.152477885
Topological Polar Surface Area54.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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