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N-Acetyl-5-acetoxytryptamine

CAT: 0572-TRC-N298525-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N298525-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28026-16-6
Synonyms
Acetamide, N-[2-[5-(acetyloxy)-1H-indol-3-yl]ethyl]- (9CI, ACI); Acetamide, N-[2-(5-hydroxyindol-3-yl)ethyl]-, acetate (7CI); Acetamide, N-[2-(5-hydroxyindol-3-yl)ethyl]-, acetate (ester) (8CI); N-[2-[5-(Acetyloxy)-1H-indol-3-yl]ethyl]acetamide (ACI); Diacetyl-5-hydroxytryptamine; N-Acetyl-2-(5-acetoxyindol-3-yl)ethylamine; 3-(2-Acetamidoethyl)-1H-indol-5-yl acetate; 5-Acetoxy-N-acetyltryptamine; N-Acetyl-5-acetoxytryptamine
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(=O)NCCc1c[nH]c2ccc(OC(=O)C)cc12
Molecular Formula
C14 H16 N2 O3
Molecular Weight
260.288
InChI
InChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-4-3-12(7-13(11)14)19-10(2)18/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
Additionnal Information
IUPAC name: [3-(2-acetamidoethyl)-1H-indol-5-yl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(2-acetamidoethyl)-1H-indol-5-yl acetate

3-(2-Acetamidoethyl)-1H-indol-5-yl acetate has been reported in Shepherdia canadensis with data available.

CAS Number28026-16-6
PubChem CID2735229
IUPAC Name[3-(2-acetamidoethyl)-1H-indol-5-yl] acetate
Molecular FormulaC14H16N2O3
Molecular Weight260.29
XLogP0.6
Topological Polar Surface Area71.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity346
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC(=O)C
InChI
InChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-4-3-12(7-13(11)14)19-10(2)18/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
HTXAKOWTTUTRIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-acetamidoethyl)-1H-indol-5-yl acetate
CAS: 28026-16-6
CID: 2735229
Formula: C14H16N2O3
MW: 260.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.29
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass260.11609238
Monoisotopic Mass260.11609238
Topological Polar Surface Area71.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity346
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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