L-Alanine, N-[(4-methylphenyl)sulfonyl]-, 5-phenyl-1H-pyrrol-3-yl ester


Chemical Name: L-Alanine, N-[(4-methylphenyl)sulfonyl]-, 5-phenyl-1H-pyrrol-3-yl ester
CAS Number: 99740-00-8
Product Number: AG00369D(AGN-PC-0OP93A)
Synonyms:
MDL No:
Molecular Formula: C20H20N2O4S
Molecular Weight: 384.4488

Identification/Properties


Properties
MP:
153-155 °C
BP:
613.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
384.45g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
384.114g/mol
Monoisotopic Mass:
384.114g/mol
Topological Polar Surface Area:
96.6A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
590
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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