Cas no 141509-91-3 (L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI))

L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) structure
141509-91-3 structure
Product Name:L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
CAS No:141509-91-3
MF:C10H19NO4
MW:218.255572557449
CID:101608
PubChem ID:16213323
Update Time:2025-04-18

L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
    • Boc-[15N]Val-OH
    • N-(tert-Butoxycarbonyl)-L-(~15~N)valine
    • Boc-Val-OH-15N, 98 atom % 15N
    • 141509-91-3
    • DTXSID70583870
    • (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]butanoic acid
    • Inchi： 1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1/i11+1
    • InChI Key： SZXBQTSZISFIAO-PFGINBISSA-N
    • SMILES： O(C([15NH][C@H](C(=O)O)C(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 218.12844298g/mol
  • Monoisotopic Mass: 218.12844298g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • Melting Point: 77-80?°C(lit.)

L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) Security Information

  • WGK Germany：3

L-Valine-15N,N-[(1,1-dimethylethoxy)carbonyl]- (9CI) Related Literature

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