Cas no 685902-89-0 (tert-butyl 5-(hydroxymethyl)naphthalen-2-ylcarbamate)

tert-butyl 5-(hydroxymethyl)naphthalen-2-ylcarbamate structure
685902-89-0 structure
Product Name:tert-butyl 5-(hydroxymethyl)naphthalen-2-ylcarbamate
CAS No:685902-89-0
MF:C16H19NO3
MW:273.326964616776
CID:502791
PubChem ID:53432547
Update Time:2025-04-19

tert-butyl 5-(hydroxymethyl)naphthalen-2-ylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 5-(hydroxymethyl)naphthalen-2-ylcarbamate
    • Carbamic acid,[5-(hydroxymethyl)-2-naphthalenyl]-, 1,1-dimethylethyl ester (9CI)
    • TERT-BUTYL [5-(HYDROXYMETHYL)-2-NAPHTHYL]CARBAMATE
    • tert-butyl N-[5-(hydroxymethyl)naphthalen-2-yl]carbamate
    • DTXSID50700563
    • 685902-89-0
    • tert-Butyl [5-(hydroxymethyl)naphthalen-2-yl]carbamate
    • tert-butyl (5-(hydroxymethyl)naphthalen-2-yl)carbamate
    • Inchi: 1S/C16H19NO3/c1-16(2,3)20-15(19)17-13-7-8-14-11(9-13)5-4-6-12(14)10-18/h4-9,18H,10H2,1-3H3,(H,17,19)
    • InChI Key: SVCBWTLHNBMQEI-UHFFFAOYSA-N
    • SMILES: O(C(NC1C=CC2=C(CO)C=CC=C2C=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 273.13600
  • Monoisotopic Mass: 273.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 337
  • 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
  • Topological Polar Surface Area: 58.6A^2
  • XLogP3: 2.9

Experimental Properties

  • PSA: 58.56000
  • LogP: 3.75210
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