3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-a,a-diphenyl-,(3S)-


Chemical Name: 3-Pyrrolidineacetonitrile, 1-[(4-methylphenyl)sulfonyl]-a,a-diphenyl-,(3S)-
CAS Number: 133099-09-9
Product Number: AG001495(AGN-PC-0PJXMD)
Synonyms:
MDL No:
Molecular Formula: C25H24N2O2S
Molecular Weight: 416.5353

Identification/Properties


Computed Properties
Molecular Weight:
416.539g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
416.156g/mol
Monoisotopic Mass:
416.156g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
696
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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