Cas no 71056-58-1 (1H-Indole-2-carboxylic acid, 5-amino-1-methyl-, ethyl ester)

1H-Indole-2-carboxylic acid, 5-amino-1-methyl-, ethyl ester structure
71056-58-1 structure
Product Name:1H-Indole-2-carboxylic acid, 5-amino-1-methyl-, ethyl ester
CAS No:71056-58-1
MF:C12H14N2O2
MW:218.251762866974
CID:546183
PubChem ID:11424506
Update Time:2025-04-19

1H-Indole-2-carboxylic acid, 5-amino-1-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-2-carboxylic acid, 5-amino-1-methyl-, ethyl ester
    • ethyl 5-amino-1-methylindole-2-carboxylate
    • 5-amino-1-methyl-1H-indole-2-carboxylic acid ethyl ester
    • 5-amino-1-methyl-indole-2-carboxylic acid ethyl ester
    • ETHYL 5-AMINO-1-METHYL-1H-INDOLE-2-CARBOXYLATE
    • ethyl 5-amino-1-methyl-2-indolecarboxylate
    • N-methyl-5-aminoindole2-carboxylic acid ethyl ester
    • Ethyl 5-amino-1-methyl-indole-2-carboxylate
    • FT-0735829
    • DTXSID90465442
    • CS-0455066
    • SCHEMBL1173839
    • A837059
    • 71056-58-1
    • WPRKJQVJYKGTLF-UHFFFAOYSA-N
    • AKOS005137874
    • MDL: MFCD27928541
    • Inchi: 1S/C12H14N2O2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3,13H2,1-2H3
    • InChI Key: WPRKJQVJYKGTLF-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC2C=C(C=CC=2N1C)N)=O

Computed Properties

  • Exact Mass: 218.10600
  • Monoisotopic Mass: 218.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 270
  • 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: 1.9
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • Density: 1.22±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 79-80 oC
  • Solubility: Very slightly soluble (0.41 g/l) (25 o C),
  • PSA: 57.25000
  • LogP: 2.51840

1H-Indole-2-carboxylic acid, 5-amino-1-methyl-, ethyl ester Pricemore >>

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