Cas no 15109-37-2 (1H-Indole-3-acetonitrile,4,7-dimethoxy-)

1H-Indole-3-acetonitrile,4,7-dimethoxy- structure
15109-37-2 structure
Product Name:1H-Indole-3-acetonitrile,4,7-dimethoxy-
CAS No:15109-37-2
MF:C12H12N2O2
MW:216.235882759094
CID:98833
PubChem ID:29929398
Update Time:2025-04-18

1H-Indole-3-acetonitrile,4,7-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-acetonitrile,4,7-dimethoxy-
    • (4,7-DIMETHOXY-1H-INDOL-3-YL)- ACETONITRILE
    • 2-(4,7-dimethoxy-1H-indol-3-yl)acetonitrile
    • 1H-Indole-3-acetonitrile,4,7-dimethoxy
    • 15109-37-2
    • (4,7-DIMETHOXY-1H-INDOL-3-YL)-ACETONITRILE
    • AKOS015965962
    • (4,7-dimethoxy-1h-indol-3-yl)acetonitrile
    • DTXSID50652270
    • Inchi： 1S/C12H12N2O2/c1-15-9-3-4-10(16-2)12-11(9)8(5-6-13)7-14-12/h3-4,7,14H,5H2,1-2H3
    • InChI Key： FNWXIEDNCPOANK-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC=C(C2=C1C(CC#N)=CN2)OC

Computed Properties

  • Exact Mass: 216.09000
  • Monoisotopic Mass: 216.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 286
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 58?2

Experimental Properties

  • Density: 1.228
  • Boiling Point: 448.5°C at 760 mmHg
  • Flash Point: 225.1°C
  • Refractive Index: 1.613
  • PSA: 58.04000
  • LogP: 2.25118

1H-Indole-3-acetonitrile,4,7-dimethoxy- 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%

1H-Indole-3-acetonitrile,4,7-dimethoxy- Related Literature

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