Cas no 76842-13-2 (BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)-)

BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)- structure
76842-13-2 structure
Product Name:BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)-
CAS No:76842-13-2
MF:C9H12IN
MW:261.102754592896
CID:3361278
PubChem ID:12667938
Update Time:2025-04-21

BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)- Chemical and Physical Properties

Names and Identifiers

    • BENZENAMINE, 4-IODO-2-(1-METHYLETHYL)-
    • 990-938-5
    • 76842-13-2
    • 4-iodo-2-isopropylaniline
    • SCHEMBL4647387
    • DB-138576
    • 4-iodo-2-isopropyl-phenylamine
    • 4-Iodo-2-(propan-2-yl)aniline
    • 4-Iodo-2-[prop-2-yl]aniline
    • DWQGELZWNCZPIP-UHFFFAOYSA-N
    • Inchi: 1S/C9H12IN/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6H,11H2,1-2H3
    • InChI Key: DWQGELZWNCZPIP-UHFFFAOYSA-N
    • SMILES: C1(N)=CC=C(I)C=C1C(C)C

Computed Properties

  • Exact Mass: 261.00145Da
  • Monoisotopic Mass: 261.00145Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 125
  • 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: 3
  • Topological Polar Surface Area: 26?2
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