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N-Acetyl-d3-5-hydroxytryptamine

CAT: 0572-TRC-A179162-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A179162-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2001098-07-1
Synonyms
N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamide-d3; 5-Hydroxy-N-acetyltryptamine-d3; 5-Hydroxymelatonin-d3; N-Acetylserotonin-d3; N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]trideuterioacetamide; 5-Hydroxymelatonin-d3; N-(Acetyl-d3)-2-(5-hydroxyindol-3-yl)ethylamine; N-(Acetyl-d3)-5-hydroxytryptamine; N-Acetyl-5-hydroxytryptamine-D3 (N-acetyl-D3); N-Acetyl-d3-serotonin; Normelatonin-d3; O-Demethylmelatonin-d3
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(=O)NCCc1c[nH]c2ccc(O)cc12
Molecular Formula
C12 D3 H11 N2 O2
Molecular Weight
221.27
InChI
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)/i1D3
Additionnal Information
IUPAC name: 2,2,2-trideuterio-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Acetyl-D3-5-hydroxytryptamine
CAS Number2001098-07-1
PubChem CID131708629
IUPAC Name2,2,2-trideuterio-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC12H14N2O2
Molecular Weight221.27
XLogP0.5
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity257
SMILES
[2H]C([2H])([2H])C(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)/i1D3
InChIKey
MVAWJSIDNICKHF-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-D3-5-hydroxytryptamine
CAS: 2001098-07-1
CID: 131708629
Formula: C12H14N2O2
MW: 221.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.27
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass221.124357931
Monoisotopic Mass221.124357931
Topological Polar Surface Area65.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity257
Isotope Atom Count3
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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