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  Product Description
  N-Hydroxy-3,4-methylenedioxyamphetamine is a novel and potent bioactive compound
  Biological Activity I Assay Protocols (From Reference)

  Additional Infomation	N-Hydroxy-3,4-methylenedioxyamphetamine is a Category 1 controlled substance under the U.S. Drug Enforcement Administration (DEA). Category 1 controlled substances currently have no recognized medical use in the United States, lack a recognized safety profile for use under medical supervision, and have a high potential for abuse. It is a hallucinogen.

  These protocols are for reference only. InvivoChem does not independently validate these methods.
  Physicochemical Properties

  Molecular Formula	C10H13NO3
  Molecular Weight	195.21512
  Exact Mass	195.089
  CAS #	74698-47-8
  PubChem CID	98528
  Appearance	Typically exists as solid at room temperature
  LogP	1.7
  Hydrogen Bond Donor Count	2
  Hydrogen Bond Acceptor Count	4
  Rotatable Bond Count	3
  Heavy Atom Count	14
  Complexity	188
  Defined Atom Stereocenter Count	0
  InChi Key	FNDCTJYFKOQGTL-UHFFFAOYSA-N
  InChi Code	InChI=1S/C10H13NO3/c1-7(11-12)4-8-2-3-9-10(5-8)14-6-13-9/h2-3,5,7,11-12H,4,6H2,1H3
  Chemical Name	N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]hydroxylamine
  Synonyms	N-OH-Mda; N-Hydroxy MDA; N-Hydroxy-3,4-methylenedioxyamphetamine
  HS Tariff Code	2934.99.9001
  Storage	Powder      -20°C    3 years 4°C     2 years In solvent   -80°C    6 months -20°C    1 month
  Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

  Solubility Data

  Solubility (In Vitro)

  May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

  Solubility (In Vivo)

  Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders   Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

  Preparing Stock Solutions		1 mg	5 mg	10 mg
  	1 mM	5.1224 mL	25.6121 mL	51.2243 mL
  	5 mM	1.0245 mL	5.1224 mL	10.2449 mL
  	10 mM	0.5122 mL	2.5612 mL	5.1224 mL

  *Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

   

• N-Hydroxy-3,4-methylenedioxyamphetamine

  Base Information

  • Chemical Name:N-Hydroxy-3,4-methylenedioxyamphetamine
  • CAS No.:74698-47-8
  • Molecular Formula:C10H13 N O3
  • Molecular Weight:195.218
  • Hs Code.:2932999099
  • European Community (EC) Number:634-555-0
  • UNII:SJE1T2B1A7
  • DSSTox Substance ID:DTXSID30860972
  • Nikkaji Number:J413.581D
  • Wikipedia:3,4-Methylenedioxy-N-hydroxyamphetamine
  • Wikidata:Q4043402
  • ChEMBL ID:CHEMBL127313
  • Mol file:74698-47-8.mol

  

  Synonyms:N-hydroxy MDA;N-hydroxy methylenedioxyamphetamine;N-hydroxy-1-(3,4-methylenedioxyphenyl)-2-aminopropane;N-hydroxy-1-(3,4-methylenedioxyphenyl)-2-aminopropane hydrochloride;N-hydroxy-1-(3,4-methylenedioxyphenyl)-2-aminopropane, (+-)-isomer;N-hydroxy-3,4-methylenedioxyamphetamine;N-OH-MDA

   This product is a nationally controlled contraband, and the Lookchem platform doesn’t provide relevant sales information.

  Chemical Property of N-Hydroxy-3,4-methylenedioxyamphetamine

  Chemical Property:

  • Vapor Pressure:1.73E-05mmHg at 25°C 
  • Boiling Point:349.7°C at 760 mmHg 
  • PKA:13.76±0.50(Predicted) 
  • Flash Point:165.3°C 
  • PSA：50.72000 
  • Density:1.246g/cm³ 
  • LogP:1.71600 
  • XLogP3:1.7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:3
  • Exact Mass:195.08954328
  • Heavy Atom Count:14
  • Complexity:188

  Purity/Quality:

  Safty Information:

  • Pictogram(s): 
  • Hazard Codes: 

  MSDS Files:

  SDS file from LookChem

  Useful:

  • Canonical SMILES:CC(CC1=CC2=C(C=C1)OCO2)NO
  • UsesA structural analog of 3,4-Methylenedioxy Methamphetamine (M303985) aka “ecstasy”. Hallucinogen; CNS stimulant. Controlled substance.
  Technology Process of N-Hydroxy-3,4-methylenedioxyamphetamine

  There total 3 articles about N-Hydroxy-3,4-methylenedioxyamphetamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

  synthetic route:

  Reference yield: 31.0%

  

  4676-39-51-(1,3-benzodioxol-5-yl)-2-propanone

  

  

  74698-47-8N-hydroxy-3,4-methylenedioxyamphetamine

  Guidance literature:

  With hydroxylamine; sodium cyanoborohydride;

  Reference yield:

  

  4764-17-43,4-methylenedioxyamphetamine

  

  

  4676-39-51-(1,3-benzodioxol-5-yl)-2-propanone

  

  

  555-64-6,14513-20-3α-methyldopamine

  

  

  74698-47-8

  N-hydroxy MDA Product Information

  N-hydroxy MDA is listed under Other and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-TB-66235.

  Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.

  Technical Data

  Product Name

  N-hydroxy MDA

  CAS No.

  74698-47-8

  CAT No.

  CS-TB-66235

  HSN Code

  38229010

  Country of Origin

  Can be shipped from India, Canada and USA

  Molecular Formula

  –

  Molecular Weight

  195.22

  Category

  Other

  Storage Condition

  Refer MSDS for complete information.

  Hazard Compound

  Refer MSDS for complete information.

  Description

  Regulatory Description

  N-hydroxy MDA is supplied with detailed characterization data compliant with regulatory guideline. N-hydroxy MDA can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.

  Overview

  Useful research chemical for a range of applications.

  Synonyms

  N-hydroxy MDA

  Application Notes

  Useful research chemical for a range of applications.

  References

  CAS
  PubChem
  Wikipedia

  N-hydroxy-3,4-methylenedioxyamphetamine

  Guidance literature:

  With rabbit liver cytochrome P₄₅₀IIB₄; 1,2-dilauroylphosphatidylcholine; NADPH; NADPH-cytochrome P₄₅₀ reductase; ascorbic acid; In water; at 37 ℃; for 0.0833333h; Mechanism; other (methylenedioxy)phenyl compounds; also in the hydroxyl radical system (ferric chloride, EDTA, potassium phosphate buffer, pH 7.4); demethylenation reaction;

  DOI:10.1021/jm00113a028