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3,5-DMA (hydrochloride)

CAT: 0804-HY-W713313-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W713313-01Size:1 mg
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Description
3,5-DMA (3,5-Dimethoxyamphetamine) hydrochloride is an alkylphenylamine compound primarily catalyzed by NAT2. The metabolic rate of 3,5-DMA hydrochloride is closely related to the NAT2 acetylator genotype variation. 3,5-DMA is useful for studying the role of NAT2 acetylator genotype variation in the metabolism of alkylphenylamine carcinogens[1].
CAS Number
24973-29-3
Product Name Alternative
3,5-Dimethoxyamphetamine (hydrochloride)
UNSPSC
12352005
Target
Histone Acetyltransferase
Related Pathways
Epigenetics
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Cancer; Metabolic Disease
Smiles
COC1=CC(CC(N)C)=CC(OC)=C1.Cl
Molecular Formula
C11H18ClNO2
Molecular Weight
231.72
References & Citations
[1]Leggett CS, et al. Acetylation of putative arylamine and alkylaniline carcinogens in immortalized human fibroblasts transfected with rapid and slow acetylator N-acetyltransferase 2 haplotypes. Arch Toxicol. 2021 Jan;95 (1) :311-319.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,5-Dimethoxyamphetamine hydrochloride
CAS Number24973-29-3
PubChem CID91246
IUPAC Name1-(3,5-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
Complexity151
SMILES
CC(CC1=CC(=CC(=C1)OC)OC)N.Cl
InChI
InChI=1S/C11H17NO2.ClH/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3;/h5-8H,4,12H2,1-3H3;1H
InChIKey
KGMFIIRMHHMLND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethoxyamphetamine hydrochloride
CAS: 24973-29-3
CID: 91246
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
Complexity151
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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