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939986-24-0 | (3'-Cyano-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl)-carbaMic acid tert-butyl ester, 98+% C16H22N4O2, MW
CAS No: 939986-24-0 Catalog No: AG00H1HW MDL No:MFCD09607536
Product Description
Catalog Number:
AG00H1HW
Chemical Name:
(3'-Cyano-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl)-carbaMic acid tert-butyl ester, 98+% C16H22N4O2, MW
CAS Number:
939986-24-0
MDL Number:
MFCD09607536
IUPAC Name:
tert-butyl N-[1-(3-cyanopyridin-2-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-7-5-9-20(11-13)14-12(10-17)6-4-8-18-14/h4,6,8,13H,5,7,9,11H2,1-3H3,(H,19,21)
InChI Key:
PEJYEIYQXRCKQZ-UHFFFAOYSA-N
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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