Cas no 885272-54-8 (8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester)

8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester structure
885272-54-8 structure
Product Name:8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester
CAS No:885272-54-8
MF:C16H21ClN2O2
MW:308.803143262863
MDL:MFCD08059287
CID:710913
PubChem ID:74788404
Update Time:2024-10-26

8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester Chemical and Physical Properties

Names and Identifiers

    • 5H-Pyrido[4,3-b]indole-5-carboxylicacid, 8-chloro-1,2,3,4,4a,9b-hexahydro-, 1,1-dimethylethyl ester
    • 8-CHLORO-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO[4,3-B]INDOLE
    • 8-Chloro-1,2,3,4,4a,9b-hexahydro-pyrido[4,3-b]indole-5-carboxylic acid tert-butyl ester
    • 1,1-Dimethylethyl 8-chloro-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxylate (ACI)
    • 1,1-Dimethylethyl 8-chloro-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxylate
    • 8-Chloro-1,2,3,4,4a,9b-hexahydro-pyrido[4,3-b]indole-5-carboxylic acid t-butyl ester
    • MFCD08059287
    • tert-Butyl 8-chloro-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole-5(9bH)-carboxylate
    • tert-butyl 8-chloro-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole-5-carboxylate
    • SB39404
    • 885272-54-8
    • tert-Butyl8-chloro-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole-5(9bH)-carboxylate
    • DTXSID601125263
    • CS-0341234
    • 8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester
    • MDL: MFCD08059287
    • Inchi: 1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-13-5-4-10(17)8-11(13)12-9-18-7-6-14(12)19/h4-5,8,12,14,18H,6-7,9H2,1-3H3
    • InChI Key: IZHFFHWVHONBQY-UHFFFAOYSA-N
    • SMILES: O=C(N1C2C(CNCC2)C2C1=CC=C(C=2)Cl)OC(C)(C)C

Computed Properties

  • Exact Mass: 308.12900
  • Monoisotopic Mass: 308.129
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 410
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: 2.9

Experimental Properties

  • PSA: 41.57000
  • LogP: 3.93440

8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester Pricemore >>

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TRC
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8-Chloro-1,2,3,4,4a,9b-Hexahydro-Pyrido4,3-BIndole-5-Carboxylic Acid Tert-Butyl Ester Related Literature

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