Cas no 1079-44-3 (2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine)

2-(2,5-Dimethyl-1H-indol-3-yl)ethan-1-amine is a substituted indole derivative featuring a primary amine functional group attached to the 3-position of the indole core. This compound is of interest in organic synthesis and medicinal chemistry due to its structural similarity to biologically active indole alkaloids. The presence of methyl groups at the 2- and 5-positions enhances steric and electronic properties, potentially influencing binding affinity in pharmacological applications. Its amine moiety allows for further derivatization, making it a versatile intermediate for the development of novel heterocyclic compounds. The compound is typically handled under controlled conditions due to its reactivity and sensitivity.
2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine structure
1079-44-3 structure
Product Name:2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine
CAS No:1079-44-3
MF:C12H16N2
MW:188.268842697144
MDL:MFCD02615236
CID:867812
PubChem ID:254950
Update Time:2025-06-06

2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(2,5-dimethyl-1H-indol-3-yl)ethanamine
    • 2-(2,5-DIMETHYL-1H-INDOL-3-YL)-ETHYLAMINE
    • 2-(2,5-DIMETHYL-1H-INDOL-3-YL)-ETHYLAMINE HYDROCHLORIDE
    • 2,5-Dimethyl-tryptamin
    • 2,5-Dimethyltryptamine
    • 2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine
    • MDL: MFCD02615236
    • Inchi: 1S/C12H16N2/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12/h3-4,7,14H,5-6,13H2,1-2H3
    • InChI Key: CMDMWYFWSISWBT-UHFFFAOYSA-N
    • SMILES: N1C2C=CC(C)=CC=2C(CCN)=C1C

Computed Properties

  • Exact Mass: 188.13100
  • Monoisotopic Mass: 188.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 41.8?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 366.7±37.0 °C at 760 mmHg
  • Flash Point: 203.2±13.7 °C
  • PSA: 41.81000
  • LogP: 2.98620
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine Security Information

2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(2,5-dimethyl-1H-indol-3-yl)ethan-1-amine Pricemore >>

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