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939760-53-9

939760-53-9 structural image
Product Name: [2-AMINO-2-(4-CYANO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER HYDROCHLORIDE
Formula: C14H19N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 297.78 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 297.1244046 g/mol
Monoisotopic Mass 297.1244046 g/mol
Topological Polar Surface Area 88.1 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 345
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes