L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate


Chemical Name: L-Phenylalanine, phenylmethyl ester, 4-methylbenzenesulfonate
CAS Number: 1738-78-9
Product Number: AG001Z70(AGN-PC-0QAFDL)
Synonyms:
MDL No:
Molecular Formula: C23H25NO5S
Molecular Weight: 427.5133

Identification/Properties


Properties
MP:
170.5-171.5℃
BP:
382.8°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
427.515g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
427.145g/mol
Monoisotopic Mass:
427.145g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
474
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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