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5-Methoxytryptamine-a,a,b,b-d4

CAT: 0572-TRC-M271696-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M271696-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96236-05-4
Synonyms
1H-Indole-3-ethan-α,α,β,β-d4-amine, 5-methoxy- (9CI); 5-Methoxytryptamine-α,α,β,β-D4; 5-Methoxytryptamine-α,α,β,β-d4; 5-Methoxytryptamine-d4; 5-Methoxy-1H-indole-3-ethan-α,α,β,β-d4-amine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(N)C([2H])([2H])c1c[nH]c2ccc(OC)cc12
Molecular Formula
C11 D4 H10 N2 O
Molecular Weight
194.266
InChI
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3/i4D2,5D2
Additionnal Information
IUPAC name: 1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethanamine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-METHOXYTRYPTAMINE-alpha,alpha,beta,beta-D4
CAS Number96236-05-4
PubChem CID12273662
IUPAC Name1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethanamine
Molecular FormulaC11H14N2O
Molecular Weight194.27
XLogP0.5
Topological Polar Surface Area51
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity186
SMILES
[2H]C([2H])(C1=CNC2=C1C=C(C=C2)OC)C([2H])([2H])N
InChI
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3/i4D2,5D2
InChIKey
JTEJPPKMYBDEMY-CQOLUAMGSA-N
Chemical Structure
2D Structure
2D structure of 5-METHOXYTRYPTAMINE-alpha,alpha,beta,beta-D4
CAS: 96236-05-4
CID: 12273662
Formula: C11H14N2O
MW: 194.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.27
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass194.135720058
Monoisotopic Mass194.135720058
Topological Polar Surface Area51 Ų
Heavy Atom Count14
Formal Charge0
Complexity186
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes