[4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]methanol


Chemical Name: [4-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-5-propan-2-yl-1,2,4-triazol-3-yl]methanol
CAS Number: 856703-83-8
Product Number: AG004TGB(AGN-PC-05J2V8)
Synonyms:
MDL No:
Molecular Formula: C13H22N4O
Molecular Weight: 250.3400

Identification/Properties


Properties
MP:
65-73°C, recrystallized ~85°C, melts at 191-193°C
Storage:
-10 ℃;Inert atmosphere;
Computed Properties
Molecular Weight:
250.346g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
250.179g/mol
Monoisotopic Mass:
250.179g/mol
Topological Polar Surface Area:
63A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
287
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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