3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid

CAS Registry Number®

158478-77-4
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CAS Name

3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid

Molecular Formula

C14H25N3O6

Molecular Mass

331.36

Cite this Page

3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158478-77-4 (retrieved 2024-08-24) (CAS RN: 158478-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H25N3O6/c1-13(2,3)22-11(20)16-10(15-8-7-9(18)19)17-12(21)23-14(4,5)6/h7-8H2,1-6H3,(H,18,19)(H2,15,16,17,20,21)

InChIKey

InChIKey=XDTHUODSNXIPFK-UHFFFAOYSA-N

SMILES

C(NC(OC(C)(C)C)=O)(NC(OC(C)(C)C)=O)=NCCC(O)=O

Canonical SMILES

O=C(OC(C)(C)C)NC(=NCCC(=O)O)NC(=O)OC(C)(C)C

Other Names for this Substance

  • β-Alanine, N-[bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]-
  • N-[Bis[[(1,1-dimethylethoxy)carbonyl]amino]methylene]-β-alanine
  • 3-[N,N′-Bis(tert-butoxycarbonyl)guanidino]propionic acid

Deleted or Replaced CAS Registry Numbers

2762899-71-6