Cas no 61435-60-7 (4-Amino-3-iodo-beta-phenylbenzeneethanamine)

4-Amino-3-iodo-beta-phenylbenzeneethanamine structure
61435-60-7 structure
Product Name:4-Amino-3-iodo-beta-phenylbenzeneethanamine
CAS No:61435-60-7
MF:C14H15IN2
MW:336.186928033829
CID:2843752
Update Time:2023-08-07

4-Amino-3-iodo-beta-phenylbenzeneethanamine Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-3-iodo-beta-phenylbenzeneethanamine
    • 2-(3-Iodo-4-aminophenyl)-2-phenethylamine
    • Inchi: 1S/C14H15IN2/c15-13-8-11(6-7-14(13)17)12(9-16)10-4-2-1-3-5-10/h1-8,12H,9,16-17H2/i15-2
    • InChI Key: FTZGUVYONIXCTO-VLPIPSKASA-N
    • SMILES: [125I]C1=C(C=CC(=C1)C(CN)C1C=CC=CC=1)N

Computed Properties

  • Exact Mass: 336.028
  • Monoisotopic Mass: 336.028
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 228
  • 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: 2.7
  • Topological Polar Surface Area: 52

Experimental Properties

  • Density: 1.579
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • LogP: 4.24550
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