848500-02-7
(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607542
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H22 N4 O2
【pro_molWeight】
302.376
【Inchi】
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-6-9-20(10-7-13)14-12(11-17)5-4-8-18-14/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,21)
【InChIKey】
InChIKey=JPJYGUILUQQOOW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCN(CC1)c2c(cccn2)C#N
【MOL File】
(3'-CYANO-3,4,5,6-TE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(3'-CYANO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml