Cas no 627526-23-2 (1,2-Ethanediamine, N-(2,3-dihydro-1H-inden-1-yl)-N'-(4-phenylbutyl)-)

1,2-Ethanediamine, N-(2,3-dihydro-1H-inden-1-yl)-N'-(4-phenylbutyl)- structure
627526-23-2 structure
Product Name:1,2-Ethanediamine, N-(2,3-dihydro-1H-inden-1-yl)-N'-(4-phenylbutyl)-
CAS No:627526-23-2
MF:C21H28N2
MW:308.460425376892
CID:432675
PubChem ID:16076816
Update Time:2025-04-19

1,2-Ethanediamine, N-(2,3-dihydro-1H-inden-1-yl)-N'-(4-phenylbutyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediamine, N-(2,3-dihydro-1H-inden-1-yl)-N'-(4-phenylbutyl)-
    • N'-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutyl)ethane-1,2-diamine
    • DTXSID70581997
    • N~1~-(2,3-Dihydro-1H-inden-1-yl)-N~2~-(4-phenylbutyl)ethane-1,2-diamine
    • N'-indan-1-yl-N-(4-phenylbutyl)ethane-1,2-diamine
    • 627526-23-2
    • Inchi: 1S/C21H28N2/c1-2-8-18(9-3-1)10-6-7-15-22-16-17-23-21-14-13-19-11-4-5-12-20(19)21/h1-5,8-9,11-12,21-23H,6-7,10,13-17H2
    • InChI Key: OCUMKDJUBWPIHG-UHFFFAOYSA-N
    • SMILES: N(CCNCCCCC1C=CC=CC=1)C1C2C=CC=CC=2CC1

Computed Properties

  • Exact Mass: 308.22544
  • Monoisotopic Mass: 308.225248902g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 311
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • PSA: 24.06
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