(3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide


Chemical Name: (3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
CAS Number: 213135-54-7
Product Number: AG00C2LO(AGN-PC-0WAHR6)
Synonyms:
MDL No:
Molecular Formula: C14H26N2O2
Molecular Weight: 254.36844

Identification/Properties


Properties
MP:
126-129°C
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
254.374g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
254.199g/mol
Monoisotopic Mass:
254.199g/mol
Topological Polar Surface Area:
61.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
304
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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


NMR Spectrum


Other Analytical Data


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