939986-25-1
(5'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(5'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(5'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607540
【English Synonyms】
【Formula】
C16 H25 N3 O2
【MolWeight】
291.392
【Inchi】
InChI=1S/C16H25N3O2/c1-12-7-8-14(17-10-12)19-9-5-6-13(11-19)18-15(20)21-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,20)
【InChIKey】
InChIKey=LFICNWHYWUUHAV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(nc1)N2CCCC(C2)NC(=O)OC(C)(C)C
【MOL File】
(5'-METHYL-3,4,5,6-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(5'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml