Cas no 61545-36-6 (Methyl 4-(benzyloxy)-1H-indole-6-carboxylate)

Methyl 4-(benzyloxy)-1H-indole-6-carboxylate structure
61545-36-6 structure
Product Name:Methyl 4-(benzyloxy)-1H-indole-6-carboxylate
CAS No:61545-36-6
MF:C17H15NO3
MW:281.305904626846
MDL:MFCD11110567
CID:475471
PubChem ID:10755260
Update Time:2025-04-19

Methyl 4-(benzyloxy)-1H-indole-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(benzyloxy)-1H-indole-6-carboxylate
    • Methyl 4-Benzyloxy-indole-6-carboxylate
    • 1H-Indole-6-carboxylic acid, 4-(phenylmethoxy)-, methyl ester
    • 4-Benzloxy-6-indole carboxylic acid methyl ester
    • 4-Benzloxy-6-indole carboxylic acid methyl ester
    • 4-BENZYLOXY-6-INDOLE CARBOXYLIC ACID METHYL ESTER
    • methyl 4-phenylmethoxy-1H-indole-6-carboxylate
    • MFCD11110567
    • A868686
    • SCHEMBL6868530
    • Methyl 4- (benzyloxy) -1H-indole-6-carboxylate
    • A1-51064
    • CS-0038299
    • 4-benzyloxyindole-6-carboxylic acid methyl ester
    • Methyl4-(benzyloxy)-1H-indole-6-carboxylate
    • FT-0708459
    • DTXSID10444491
    • 61545-36-6
    • AKOS022172893
    • DB-072980
    • MDL: MFCD11110567
    • Inchi: 1S/C17H15NO3/c1-20-17(19)13-9-15-14(7-8-18-15)16(10-13)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
    • InChI Key: UFOBJRJIGGDCOI-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1=CC(C(=O)OC)=CC2=C1C=CN2

Computed Properties

  • Exact Mass: 281.10525
  • Monoisotopic Mass: 281.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 354
  • 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: 3.4
  • Topological Polar Surface Area: 51.3?2

Experimental Properties

  • Density: 1.253±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 477.5±30.0 °C at 760 mmHg
  • Flash Point: 242.6±24.6 °C
  • Solubility: Almost insoluble (0.021 g/l) (25 o C),
  • PSA: 51.32
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

Methyl 4-(benzyloxy)-1H-indole-6-carboxylate Security Information

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