Cas no 5344-66-1 (Glycine,N-(carboxymethyl)-N-(phenylmethyl)-, barium salt (1:1))

Glycine,N-(carboxymethyl)-N-(phenylmethyl)-, barium salt (1:1) structure
5344-66-1 structure
Product Name:Glycine,N-(carboxymethyl)-N-(phenylmethyl)-, barium salt (1:1)
CAS No:5344-66-1
MF:C11H13BaNO4
MW:360.552219152451
CID:383556
Update Time:2024-01-29

Glycine,N-(carboxymethyl)-N-(phenylmethyl)-, barium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Glycine,N-(carboxymethyl)-N-(phenylmethyl)-, barium salt (1:1)
    • benzamide, 4-chloro-N-[3-(diethylamino)propyl]-
    • (BENZYLIMINO)DIACETIC ACID, BARIUM SALT
    • Inchi: 1S/C11H13NO4.Ba.2H/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9;;;/h1-5H,6-8H2,(H,13,14)(H,15,16);;;
    • InChI Key: GBDDQXBQRPQRPQ-UHFFFAOYSA-N
    • SMILES: [Ba].O([H])C(C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O

Computed Properties

  • Exact Mass: 268.13443
  • Monoisotopic Mass: 268.134241
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 236
  • 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: 2.2
  • Topological Polar Surface Area: 32.3

Experimental Properties

  • Density: 1.326
  • Boiling Point: 420.9°Cat760mmHg
  • Flash Point: 208.3°C
  • Refractive Index: 1.527
  • PSA: 32.34
  • LogP: 0.65780
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