939986-28-4
(4'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(4'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(4'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607550
【English Synonyms】
【Formula】
C16 H22 N4 O2
【MolWeight】
302.376
【Inchi】
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-5-4-8-20(11-13)14-9-12(10-17)6-7-18-14/h6-7,9,13H,4-5,8,11H2,1-3H3,(H,19,21)
【InChIKey】
InChIKey=AIYULLLBUNCRBW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCCN(C1)c2cc(ccn2)C#N
【MOL File】
(4'-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
(4'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml