Cas no 42882-96-2 (CHLORPHENIRAMINE)

CHLORPHENIRAMINE structure
CHLORPHENIRAMINE structure
Product Name:CHLORPHENIRAMINE
CAS No:42882-96-2
MF:C16H19ClN2
MW:274.788462877274
CID:928542
Update Time:2022-07-26

CHLORPHENIRAMINE Chemical and Physical Properties

Names and Identifiers

    • CHLORPHENIRAMINE
    • Inchi: 1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
    • InChI Key: SOYKEARSMXGVTM-UHFFFAOYSA-N
    • SMILES: C(N(C)C)CC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1

Computed Properties

  • Exact Mass: 274.123676
  • Monoisotopic Mass: 274.123676
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 249
  • 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: 3.4
  • Topological Polar Surface Area: 16.1

Experimental Properties

  • Boiling Point: 142 DEG C @ 1.0 MM HG
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