440340-83-0
1-PIPERIDINECARBOXYLIC ACID, 4-[(4-CARBOXY-2-NITROPHENYL)AMINO], 1-ETHYL ESTER
Name1-PIPERIDINECARBOXYLIC ACID, 4-[(4-CARBOXY-2-NITROPHENYL)AMINO], 1-ETHYL ESTER
1Identification
【Name】
1-PIPERIDINECARBOXYLIC ACID, 4-[(4-CARBOXY-2-NITROPHENYL)AMINO], 1-ETHYL ESTER
【CAS】
【MDL】
MFCD02936654
【English Synonyms】
【Formula】
C15H19N3O6
【MolWeight】
337.33
【Inchi】
InChI=1S/C15H19N3O6/c1-2-24-15(21)17-7-5-11(6-8-17)16-12-4-3-10(14(19)20)9-13(12)18(22)23/h3-4,9,11,16H,2,5-8H2,1H3,(H,19,20)
【InChIKey】
InChIKey=QZXBXPVZJDHPPZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)N1CCC(CC1)NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O
【MOL File】
1-PIPERIDINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.21
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERIDINECARBOXYLIC ACID, 4-[(4-CARBOXY-2-NITROPHENYL)AMINO], 1-ETHYL ESTER.cml