Cas no 4806-87-5 (3,4-dichloro-alpha-methylphenethylamine)

3,4-Dichloro-alpha-methylphenethylamine is a substituted phenethylamine derivative characterized by the presence of chlorine atoms at the 3 and 4 positions of the phenyl ring and a methyl group adjacent to the ethylamine side chain. This structural configuration imparts distinct physicochemical properties, including enhanced stability and potential selectivity in interactions with biological targets. The dichloro substitution may influence electronic distribution and steric hindrance, potentially altering binding affinity in receptor studies. Its rigid framework makes it a candidate for research applications in medicinal chemistry and neuropharmacology, particularly in investigating structure-activity relationships. The compound is handled under controlled conditions due to its reactive functional groups.
3,4-dichloro-alpha-methylphenethylamine structure
4806-87-5 structure
Product Name:3,4-dichloro-alpha-methylphenethylamine
CAS No:4806-87-5
MF:C9H11Cl2N
MW:204.096340417862
CID:931763
PubChem ID:17535
Update Time:2025-05-27

3,4-dichloro-alpha-methylphenethylamine Chemical and Physical Properties

Names and Identifiers

    • 3,4-dichloro-alpha-methylphenethylamine
    • 1-(3,4-dichlorophenyl)propan-2-amine
    • 225-366-0
    • Lilly-21784
    • 3,4-Dichloroamphetamine
    • 3,4-DICHLOROPHENYL-2-AMINOPROPANE, (+/-)-
    • Phenethylamine, 3,4-dichloro-alpha-methyl-
    • AKOS022488711
    • 3,4-Dichlorophenyl-2-aminopropane
    • Benzeneethanamine, 3,4-dichloro-alpha-methyl- (9CI)
    • BDBM50176890
    • 4-12-00-02623 (Beilstein Handbook Reference)
    • 4Q81NBO3IA
    • NCI60_042090
    • N10880
    • AKOS000161802
    • 3,4-DICHLORO-.ALPHA.-METHYLPHENETHYLAMINE
    • C9-H11-Cl2-N
    • UNII-4Q81NBO3IA
    • Lilly 21784
    • CHEMBL48888
    • 2-(3,4-Dichloro-phenyl)-1-methyl-ethylamine
    • EINECS 225-366-0
    • SCHEMBL3058411
    • Phenethylamine, 3,4-dichloro-.alpha.-methyl-
    • Benzeneethanamine, 3,4-dichloro-alpha-methyl-
    • Q4634055
    • 4806-87-5
    • LS-103270
    • DTXSID30896913
    • Benzeneethanamine, 3,4-dichloro-.alpha.-methyl-
    • BRN 2803318
    • C9H11Cl2N
    • Inchi： 1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
    • InChI Key： PUFDZMUCDFIRQY-UHFFFAOYSA-N
    • SMILES： ClC1=C(C=CC(=C1)CC(C)N)Cl

Computed Properties

  • Exact Mass: 203.02703
  • Monoisotopic Mass: 203.0268547g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 141
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.02

3,4-dichloro-alpha-methylphenethylamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1581511-250mg
1-(3,4-Dichlorophenyl)propan-2-amine
 4806-87-5 98%
250mg
 ￥2822.00 2024-05-12

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