939986-23-9
(3'-NITRO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
Name(3'-NITRO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
(3'-NITRO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607535
【English Synonyms】
【Formula】
C15 H22 N4 O4
【MolWeight】
322.363
【Inchi】
InChI=1S/C15H22N4O4/c1-15(2,3)23-14(20)17-11-6-5-9-18(10-11)13-12(19(21)22)7-4-8-16-13/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,17,20)
【InChIKey】
InChIKey=XNNJQKRCWBAAAV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NC1CCCN(C1)c2c(cccn2)[N+](=O)[O-]
【MOL File】
(3'-NITRO-3,4,5,6-TE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3'-NITRO-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER.cml