Butanoic acid, 4-amino-, phenylmethyl ester, 4-methylbenzenesulfonate


Chemical Name: Butanoic acid, 4-amino-, phenylmethyl ester, 4-methylbenzenesulfonate
CAS Number: 26727-22-0
Product Number: AG007KRB(AGN-PC-02M158)
Synonyms:
MDL No:
Molecular Formula: C18H23NO5S
Molecular Weight: 365.4439

Identification/Properties


Computed Properties
Molecular Weight:
365.444g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
365.13g/mol
Monoisotopic Mass:
365.13g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
371
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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