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α-ethyl 2C-D (hydrochloride)

CAT: 0804-HY-W725213-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W725213-01Size:1 mg
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Description
α-ethyl 2C-D (BL-3912) hydrochloride is a phenethylamine and amphetamine compound. In drug discrimination studies, α-ethyl 2C-D hydrochloride can serve as a reference standard for MDMA [1].
CAS Number
54690-19-6
Product Name Alternative
BL-3912; alpha-EH DOM
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
NC(CC)CC1=C(C=C(C(OC)=C1)C)OC.Cl
Molecular Formula
C13H22ClNO2
Molecular Weight
259.77
References & Citations
[1]Glennon RA. MDMA-like stimulus effects of alpha-ethyltryptamine and the alpha-ethyl homolog of DOM. Pharmacol Biochem Behav. 1993 Oct;46 (2) :459-62.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(2,5-Dimethoxy-4-methylphenyl)butan-2-amine hydrochloride
CAS Number54690-19-6
PubChem CID169885
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;hydrochloride
Molecular FormulaC13H22ClNO2
Molecular Weight259.77
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity198
SMILES
CCC(CC1=C(C=C(C(=C1)OC)C)OC)N.Cl
InChI
InChI=1S/C13H21NO2.ClH/c1-5-11(14)7-10-8-12(15-3)9(2)6-13(10)16-4;/h6,8,11H,5,7,14H2,1-4H3;1H
InChIKey
HQMDHDKBZGKPGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,5-Dimethoxy-4-methylphenyl)butan-2-amine hydrochloride
CAS: 54690-19-6
CID: 169885
Formula: C13H22ClNO2
MW: 259.77
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight259.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass259.1339066
Monoisotopic Mass259.1339066
Topological Polar Surface Area44.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes