939986-17-1
3-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name3-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
3-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607529
【English Synonyms】
【Formula】
C16 H24 N4 O4
【MolWeight】
336.39
【Inchi】
InChI=1S/C16H24N4O4/c1-16(2,3)24-15(21)19-9-5-6-12(11-19)10-18-14-13(20(22)23)7-4-8-17-14/h4,7-8,12H,5-6,9-11H2,1-3H3,(H,17,18)
【InChIKey】
InChIKey=FYFGZUVLTYKKPO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCC(C1)CNc2c(cccn2)[N+](=O)[O-]
【MOL File】
3-[(3-NITRO-PYRIDIN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml