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5-Methoxy-α-ethyltryptamine

CAT: 0804-HY-116795-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-116795-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Methoxy-α-ethyltryptamine is a tryptamine psychoactive substance, which has nerve stimulated effect[1].
CAS Number
4765-10-0
Product Name Alternative
BMS-189453
UNSPSC
12352005
Hazard Statement
H315, H317, H319, H410
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/5-methoxy-α-ethyltryptamine.html
Purity
98.91
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC(CC1=CNC2=CC=C(C=C21)OC)CC
Molecular Formula
C13H18N2O
Molecular Weight
218.29
Precautions
H315, H317, H319, H410
References & Citations
[1]Ventura MI, et al. Revealing the presence of tryptamine new psychoactive substances using fused "neutral loss" spectra derived from DART high-resolution mass spectra. Talanta. 2022 Aug 15;246:123417.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-Methoxy-alpha-ethyltryptamine
CAS Number4765-10-0
PubChem CID13679707
IUPAC Name1-(5-methoxy-1H-indol-3-yl)butan-2-amine
Molecular FormulaC13H18N2O
Molecular Weight218.29
XLogP1.5
Topological Polar Surface Area51
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity222
SMILES
CCC(CC1=CNC2=C1C=C(C=C2)OC)N
InChI
InChI=1S/C13H18N2O/c1-3-10(14)6-9-8-15-13-5-4-11(16-2)7-12(9)13/h4-5,7-8,10,15H,3,6,14H2,1-2H3
InChIKey
JHTPCKWBFLMJMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-alpha-ethyltryptamine
CAS: 4765-10-0
CID: 13679707
Formula: C13H18N2O
MW: 218.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight218.29
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass218.141913202
Monoisotopic Mass218.141913202
Topological Polar Surface Area51 Ų
Heavy Atom Count16
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes
5-Methoxy-α-ethyltryptamine | 0804-HY-116795-02 | Gentaur