Cas no 64798-51-2 (1-(2-isocyanatopropan-2-yl)naphthalene)

1-(2-isocyanatopropan-2-yl)naphthalene structure
64798-51-2 structure
Product Name:1-(2-isocyanatopropan-2-yl)naphthalene
CAS No:64798-51-2
MF:C14H13NO
MW:211.259123563766
CID:1682601
PubChem ID:85919703
Update Time:2025-04-21

1-(2-isocyanatopropan-2-yl)naphthalene Chemical and Physical Properties

Names and Identifiers

    • Naphthalene, 1-(1-isocyanato-1-methylethyl)-
    • 1-(2-isocyanatopropan-2-yl)naphthalene
    • 64798-51-2
    • EN300-1852508
    • SCHEMBL10897571
    • Inchi: 1S/C14H13NO/c1-14(2,15-10-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3
    • InChI Key: JVLVVHSRKBEPLO-UHFFFAOYSA-N
    • SMILES: O=C=NC(C)(C)C1C=CC=C2C=CC=CC=12

Computed Properties

  • Exact Mass: 211.09979
  • Monoisotopic Mass: 211.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 291
  • 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: 4.5
  • Topological Polar Surface Area: 29.4?2

Experimental Properties

  • PSA: 29.43

1-(2-isocyanatopropan-2-yl)naphthalene Pricemore >>

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