tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate


Chemical Name: tert-butyl 6-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
CAS Number: 164148-92-9
Product Number: AG001UO5(AGN-PC-0KKL0G)
Synonyms:
MDL No:
Molecular Formula: C14H20N2O2
Molecular Weight: 248.3208

Identification/Properties


Computed Properties
Molecular Weight:
248.326g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
248.152g/mol
Monoisotopic Mass:
248.152g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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