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2,5-Dimethoxy-4-ethoxyamphetamine Hydrochloride

CAT: 0572-TRC-D161280-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D161280-250MGSize:250 mg
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CAS Number
16128-88-4
Synonyms
2,5-Dimethoxy-4-ethoxyamphetamine Hydrochloride
Hazard Statement
No Data Available
Smiles
CCOc1cc(OC)c(CC(C)N)cc1OC
Molecular Formula
C13 H21 N O3
Molecular Weight
239.311
InChI
InChI=1S/C13H21NO3/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
Additionnal Information
IUPAC name: 1-(4-ethoxy-2,5-dimethoxyphenyl)propan-2-amine
Shipping Conditions
Room Temperature

Chemical Information

2,5-Dimethoxy-4-ethoxyamphetamine
CAS Number16128-88-4
PubChem CID542053
IUPAC Name1-(4-ethoxy-2,5-dimethoxyphenyl)propan-2-amine
Molecular FormulaC13H21NO3
Molecular Weight239.31
XLogP2.1
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity213
SMILES
CCOC1=C(C=C(C(=C1)OC)CC(C)N)OC
InChI
InChI=1S/C13H21NO3/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey
ITZLAXJQDMGDEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethoxy-4-ethoxyamphetamine
CAS: 16128-88-4
CID: 542053
Formula: C13H21NO3
MW: 239.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.31
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass239.15214353
Monoisotopic Mass239.15214353
Topological Polar Surface Area53.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity213
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

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