942271-61-6
TERT-BUTYL 4-(4-METHYLPIPERAZIN-1-YL)-2-NITROBENZOATE
NameTERT-BUTYL 4-(4-METHYLPIPERAZIN-1-YL)-2-NITROBENZOATE
1Identification
【Name】
TERT-BUTYL 4-(4-METHYLPIPERAZIN-1-YL)-2-NITROBENZOATE
【CAS】
【MDL】
MFCD12198406
【English Synonyms】
【Formula】
C16 H23 N3 O4
【MolWeight】
321.375
【Inchi】
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)13-6-5-12(11-14(13)19(21)22)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3
【InChIKey】
InChIKey=PNTUIHOIJCQTSU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)c1ccc(cc1[N+](=O)[O-])N2CCN(CC2)C
【MOL File】
TERT-BUTYL 4-(4-METH….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 4-(4-METHYLPIPERAZIN-1-YL)-2-NITROBENZOATE.cml