570409-62-0
TERT-BUTYL 8,8-DIMETHYL-3-NITRO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE
NameTERT-BUTYL 8,8-DIMETHYL-3-NITRO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 8,8-DIMETHYL-3-NITRO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE
【CAS】
【MDL】
MFCD11975903
【English Synonyms】
【Formula】
C15 H21 N3 O4
【MolWeight】
307.348
【Inchi】
InChI=1S/C15H21N3O4/c1-14(2,3)22-13(19)17-8-10-6-11(18(20)21)7-16-12(10)15(4,5)9-17/h6-7H,8-9H2,1-5H3
【InChIKey】
InChIKey=IGTJNWLRJZJLJV-UHFFFAOYSA-N
【SMILES】
CC1(CN(Cc2c1ncc(c2)[N+](=O)[O-])C(=O)OC(C)(C)C)C
【MOL File】
TERT-BUTYL 8,8-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 8,8-DIMETHYL-3-NITRO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE.cml