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Home > Other Heterocycles > 138430-98-5
138430-98-5 | 1-Azabicyclo[2.2.2]octan-3-ol, 3-(3-methoxy-2-pyrazinyl)-
CAS No: 138430-98-5 Catalog No: AG001957 MDL No:
Product Description
Catalog Number:
AG001957
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-ol, 3-(3-methoxy-2-pyrazinyl)-
CAS Number:
138430-98-5
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
3-(3-methoxypyrazin-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C12H17N3O2/c1-17-11-10(13-4-5-14-11)12(16)8-15-6-2-9(12)3-7-15/h4-5,9,16H,2-3,6-8H2,1H3
InChI Key:
OXAPZTWSUIUJGO-UHFFFAOYSA-N
SMILES:
COc1nccnc1C1(O)CN2CCC1CC2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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