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537049-19-7

537049-19-7 structural image
Product Name: 2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YL-AMINO)-PROPIONIC ACID
Formula: C14H18N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 33.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 246.30 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 246.136827821 g/mol
Monoisotopic Mass 246.136827821 g/mol
Topological Polar Surface Area 61.7 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 363
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 1
Compound Is Canonicalized Yes