939986-24-0
(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607536
【English Synonyms】
【Formula】
C16 H22 N4 O2
【MolWeight】
302.376
【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)
【InChIKey】
InChIKey=PEJYEIYQXRCKQZ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCCN(C1)c2c(cccn2)C#N
【MOL File】
(3'-CYANO-3,4,5,6-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml