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Home > Pyridines > 1422141-55-6
1422141-55-6 | (4R,4aR,8aR)-N-methyloctahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
CAS No: 1422141-55-6 Catalog No: AG01DITK MDL No:
Product Description
Catalog Number:
AG01DITK
Chemical Name:
(4R,4aR,8aR)-N-methyloctahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
CAS Number:
1422141-55-6
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
IUPAC Name:
(4R,4aR,8aR)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide
InChI:
InChI=1S/C10H18N2O2/c1-11-10(13)7-3-5-14-9-2-4-12-6-8(7)9/h7-9,12H,2-6H2,1H3,(H,11,13)/t7-,8+,9-/m1/s1
InChI Key:
HMPNCRDXXDIAOF-HRDYMLBCSA-N
SMILES:
CNC(=O)[C@@H]1CCO[C@H]2[C@H]1CNCC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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