Cas no 51109-65-0 (1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]-)

1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]- structure
51109-65-0 structure
Product Name:1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]-
CAS No:51109-65-0
MF:C32H40N4
MW:480.686807632446
CID:377286
PubChem ID:442020
Update Time:2025-04-19

1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]-
    • borreverine
    • CHEMBL4163038
    • CHEBI:3156
    • C09082
    • 51109-65-0
    • N-methyl-2-[2-[(1S,9R,10S,15R,16R)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl]-1H-indol-3-yl]ethanamine
    • N-Methyl-2-{2-[1,1,3,13-tetramethyl-2,4a,10,10a-tetrahydro-1H,5H-4b,9b-(epiminoethano)indeno[1,2-b]indol-10-yl]-1H-indol-3-yl}ethan-1-amine
    • AC1L9C4E
    • DTXSID60965388
    • Q27105960
    • Inchi： 1S/C32H40N4/c1-20-18-24-27(30(2,3)19-20)28(29-22(14-16-33-4)21-10-6-8-12-25(21)34-29)31-15-17-36(5)32(24,31)35-26-13-9-7-11-23(26)31/h6-13,18,24,27-28,33-35H,14-17,19H2,1-5H3/t24-,27-,28-,31+,32+/m0/s1
    • InChI Key： PHMBUGRSZKDHNS-QGEDZZHQSA-N
    • SMILES： N1(C)CC[C@]23C4C=CC=CC=4N[C@]12[C@H]1C=C(C)CC(C)(C)[C@@H]1[C@H]3C1=C(CCNC)C2C=CC=CC=2N1

Computed Properties

  • Exact Mass: 480.325
  • Monoisotopic Mass: 480.325
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 4
  • Complexity: 897
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.7
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.2
  • Boiling Point: 646.1°Cat760mmHg
  • Flash Point: 344.6°C
  • Refractive Index: 1.668

1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]- Related Literature

Related Categories

51109-65-0 (1H-Indole-3-ethanamine,N-methyl-2-[(4aS,4bR,9bS,10R,10aR)-2,4a,10,10a-tetrahydro-1,1,3,13-tetramethyl-1H,5H-4b,9b-(iminoethano)indeno[1,2-b]indol-10-yl]-) Related Products

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