939986-27-3
(4'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(4'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(4'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607548
【English Synonyms】
【Formula】
C16 H25 N3 O2
【MolWeight】
291.392
【Inchi】
InChI=1S/C16H25N3O2/c1-12-5-8-17-14(11-12)19-9-6-13(7-10-19)18-15(20)21-16(2,3)4/h5,8,11,13H,6-7,9-10H2,1-4H3,(H,18,20)
【InChIKey】
InChIKey=TUVWEENFADHMJX-UHFFFAOYSA-N
【SMILES】
Cc1ccnc(c1)N2CCC(CC2)NC(=O)OC(C)(C)C
【MOL File】
(4'-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
(4'-METHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml