939986-18-2
4-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09607530
【English Synonyms】
【Formula】
C16 H24 N4 O4
【MolWeight】
336.39
【Inchi】
InChI=1S/C16H24N4O4/c1-16(2,3)24-15(21)19-9-6-12(7-10-19)11-18-14-13(20(22)23)5-4-8-17-14/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,17,18)
【InChIKey】
InChIKey=ZXVMLZJGOMLICJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCC(CC1)CNc2c(cccn2)[N+](=O)[O-]
【MOL File】
4-[(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
4-[(3-NITRO-PYRIDIN-2-YLAMINO)-METHYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml