936368-55-7
1-PIPERAZINECARBOXYLIC ACID, 4-(6-METHYL-5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-(6-METHYL-5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-(6-METHYL-5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD09998954
【English Synonyms】
【Formula】
C15 H22 N4 O4
【MolWeight】
322.363
【Inchi】
InChI=1S/C15H22N4O4/c1-11-12(19(21)22)5-6-13(16-11)17-7-9-18(10-8-17)14(20)23-15(2,3)4/h5-6H,7-10H2,1-4H3
【InChIKey】
InChIKey=DUVNYIXNOISKEC-UHFFFAOYSA-N
【SMILES】
Cc1c(ccc(n1)N2CCN(CC2)C(=O)OC(C)(C)C)[N+](=O)[O-]
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-(6-METHYL-5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER.cml