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3,4-DMA Hydrochloride

CAT: 0572-TRC-D525595-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D525595-100MGSize:100 mg
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CAS Number
13078-75-6
Synonyms
3,4-DMA Hydrochloride
Hazard Statement
Harmful if swallowed
Smiles
Cl.COc1ccc(CC(C)N)cc1OC
Molecular Formula
C11 H17 N O2 . Cl H
Molecular Weight
231.719
InChI
InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H
Additionnal Information
IUPAC name: 1-(3,4-dimethoxyphenyl)propan-2-amine;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

3,4-Dimethoxyamphetamine hydrochloride
CAS Number13078-75-6
PubChem CID114461
IUPAC Name1-(3,4-dimethoxyphenyl)propan-2-amine;hydrochloride
Molecular FormulaC11H18ClNO2
Molecular Weight231.72
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity163
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)N.Cl
InChI
InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H
InChIKey
CERQYUUAGZXWKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethoxyamphetamine hydrochloride
CAS: 13078-75-6
CID: 114461
Formula: C11H18ClNO2
MW: 231.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass231.1026065
Monoisotopic Mass231.1026065
Topological Polar Surface Area44.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity163
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

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Alternative Products

CatalogName
NAA07875-013,4-Dma hydrochloride
HY-168415-013,4-DMA-NBOMe (hydrochloride)
HY-170741-01N-Ethyl-3,4-DMA (hydrochloride)
HY-139045-012,4-DMA (hydrochloride)
T204662-012,4-DMA hydrochloride
HY-168832-01N-Benzyl-3,4-DMA (hydrochloride)
CAA98007-01N-Benzyl-3,4-dma hydrochloride
HY-W713313-013,5-DMA (hydrochloride)
HY-170742-01N, N-Dimethyl-3,4-DMA (hydrochloride)
T61334DMA-135 hydrochloride

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