Aminomalamido-N,N'-propionic Acid Trifluoroacetic Acid Salt - CAS 1217048-30-0
Catalog: |
BB054940 |
Product Name: |
Aminomalamido-N,N'-propionic Acid Trifluoroacetic Acid Salt |
CAS: |
1217048-30-0 |
Synonyms: |
Aminomalonic Acid Bis(3-aminopropionic Acid)amide Trifluoroacetic Acid Salt |
IUPAC Name: | 3-[[2-amino-3-(2-carboxyethylamino)-3-oxopropanoyl]amino]propanoic acid2,2,2-trifluoroacetic acid |
Description: | Aminomalamido-N,N'-propionic Acid Trifluoroacetic Acid Salt (cas# 1217048-30-0) is a compound useful in organic synthesis. |
Molecular Weight: | 375.26 |
Molecular Formula: | C11H16F3N3O8 |
Canonical SMILES: | C(CNC(=O)C(C(=O)NCCC(=O)O)N)C(=O)O.C(=O)(C(F)(F)F)O |
InChI: | InChI=1S/C9H15N3O6.C2HF3O2/c10-7(8(17)11-3-1-5(13)14)9(18)12-4-2-6(15)163-2(4,5)1(6)7/h7H,1-4,10H2,(H,11,17)(H,12,18)(H,13,14)(H,15,16)(H,6,7) |
InChI Key: | IWCAXQXPDLGGPY-UHFFFAOYSA-N |
Solubility: | DMSO, Methanol, Water |
Appearance: | White Solid |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 375.08894896 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 12 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 375.08894896 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 196Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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