939986-15-9
4-(3-NITRO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(3-NITRO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(3-NITRO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607527
【English Synonyms】
【Formula】
C15 H22 N4 O4
【MolWeight】
322.363
【Inchi】
InChI=1S/C15H22N4O4/c1-15(2,3)23-14(20)18-9-6-11(7-10-18)17-13-12(19(21)22)5-4-8-16-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=UISHFIHXKWMDIY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)Nc2c(cccn2)[N+](=O)[O-]
【MOL File】
4-(3-NITRO-PYRIDIN-2….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
4-(3-NITRO-PYRIDIN-2-YLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml