b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-,monosodium salt


Chemical Name: b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-,monosodium salt
CAS Number: 867-81-2
Product Number: AG003UCF(AGN-PC-0V8GQS)
Synonyms:
MDL No:
Molecular Formula: C9H16NNaO5
Molecular Weight: 241.2168

Identification/Properties


Properties
MP:
171-178 °C(lit.);
BP:
551.5 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
27 ° (C=5, H2O)
Computed Properties
Molecular Weight:
241.219g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
241.093g/mol
Monoisotopic Mass:
241.093g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
244
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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