2-​Boc-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​7-​boronic acid pinacol ester


Chemical Name: 2-​Boc-​1,​2,​3,​4-​tetrahydroisoquinoli​ne-​7-​boronic acid pinacol ester
CAS Number: 937048-76-5
Product Number: AG00H36M(AGN-PC-0WAK39)
Synonyms:
MDL No:
Molecular Formula: C20H30BNO4
Molecular Weight: 359.2675

Identification/Properties


Computed Properties
Molecular Weight:
359.273g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
359.227g/mol
Monoisotopic Mass:
359.227g/mol
Topological Polar Surface Area:
48A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
526
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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