Phenethylamine, alpha-ethyl-3,4-methylenedioxy-, hydrochloride

Base Information

• Chemical Name: Phenethylamine, alpha-ethyl-3,4-methylenedioxy-, hydrochloride
• CAS No.: 42542-07-4
• Molecular Formula: C11H15NO2
• Molecular Weight: 229.73
• European Community (EC) Number: 693-469-1
• NSC Number: 172188
• UNII: RFD67T622Z
• DSSTox Substance ID: DTXSID00897578
• Mol file: 42542-07-4.mol

Synonyms:42542-07-4;NSC 172188;Phenethylamine, alpha-ethyl-3,4-methylenedioxy-, hydrochloride;1-(1,3-benzodioxol-5-yl)butan-2-amine;hydrochloride;RFD67T622Z;1,3-BENZODIOXOLYLBUTANAMINE HYDROCHLORIDE;rac-BDB HCl;1,3-Benzodioxole, 5-(2-aminobutyl)-, hydrochloride;3,4-Methylenedioxy-alpha-ethyl-beta-phenylethylamine;NSC-172188;BDB (hydrochloride);C(C(N)CC)c1ccc2OCOc2c1;BDB Hydrochloride;J hydrochloride;MDB hydrochloride;UNII-RFD67T622Z;J (PSYCHEDELIC) hydrochloride;DTXSID00897578;NSC172188;1, 5-(2-aminobutyl)-, hydrochloride;MB01139;LS-103497;3,4-methylenedioxybutanphenamine hydrochloride;Phenethylamine,4-methylenedioxy-, hydrochloride;RAC BENZODIOXOLE-5-BUTANAMINE ?YDROCHLORIDE;1-(1,3-benzodioxol-5-yl)-2-butanamine hydrochloride;3,4-methylenedioxy-alpha-ethylphenethylamine hydrochloride;1-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANAMINE HYDROCHLORIDE;(+/-)-1-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANAMINE HYDROCHLORIDE;(+/-)-1-(3,4-Methylenedioxyphenyl)-2-butanamine hydrochloride, >90%;rac-BDB HCl (rac-3,4-Methylenedioxy-phenyl-2-butanamine Hydrochloride);1-(1,3-BENZODIOXOL-5-YL)-4,4,4-TRIDEUTERIOBUTAN-2-AMINE HYDROCHLORIDE;3,4-METHYLENEDIOXY-.ALPHA.-ETHYL-.BETA.-PHENYLETHYLAMINE HYDROCHLORIDE;rac-BDB HCl (rac-3,4-Methylenedioxyphenyl-2-butanamine Hydrochloride) 1.0 mg/ml in Methanol (as free base)

Chemical Property of Phenethylamine, alpha-ethyl-3,4-methylenedioxy-, hydrochloride

Chemical Property:

• Vapor Pressure: 0.00136mmHg at 25°C
• Melting Point: 152-154 °C
• Boiling Point: 297.3°Cat760mmHg
• Flash Point: 145.5°C
• PSA: 44.48000
• Density: 1.133g/cm³
• LogP: 2.39540
• Storage Temp.: ?20°C
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

BDB (hydrochloride) ≥98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T,F
• Statements: 20/21/22-39/23/24/25-23/24/25-11
• Safety Statements: 36-45-36/37-16-7

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC1=CC2=C(C=C1)OCO2)N.Cl
• Description: MDA is a psychedelic and entactogenic drug of the phenethylamine and amphetamine chemical classes. BDB, known more formally as 1,3-benzodioxolylbutanamine, is an analog of MDA that contains an ethyl group in the alpha position. It inhibits the reuptake of dopamine, serotonin, and norepinephrine (IC50s = 7.9, 1.6, and 2.8 μM, respectively). This product is intended for forensic and research applications.
• Uses: Analog of MDMA forensic reference standard.