Cas no 281219-24-7 (tert-butyl allyl(pent-4-enyl)carbamate)

tert-butyl allyl(pent-4-enyl)carbamate structure
281219-24-7 structure
Product Name:tert-butyl allyl(pent-4-enyl)carbamate
CAS No:281219-24-7
MF:C13H23NO2
MW:225.32722401619
CID:2117552
PubChem ID:11241613
Update Time:2025-04-21

tert-butyl allyl(pent-4-enyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl allyl(pent-4-enyl)carbamate
    • SCHEMBL4686524
    • DA-42916
    • tert-butyl N-(pent-4-en-1-yl)-N-(prop-2-en-1-yl)carbamate
    • PPATWCQATRATAM-UHFFFAOYSA-N
    • Allyl-pent-4-enyl-carbamic acid tert-butyl ester
    • 281219-24-7
    • Inchi: 1S/C13H23NO2/c1-6-8-9-11-14(10-7-2)12(15)16-13(3,4)5/h6-7H,1-2,8-11H2,3-5H3
    • InChI Key: PPATWCQATRATAM-UHFFFAOYSA-N
    • SMILES: O(C(N(CC=C)CCCC=C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 225.172878976Da
  • Monoisotopic Mass: 225.172878976Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 241
  • 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: 3.2
  • Topological Polar Surface Area: 29.5?2
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