1185317-13-8
2-[(PIPERIDIN-4-YLMETHYL)-AMINO]-NICOTINIC ACID METHYL ESTER COMPOUNDWITH TRIFLUORO-ACETIC ACID
Name2-[(PIPERIDIN-4-YLMETHYL)-AMINO]-NICOTINIC ACID METHYL ESTER COMPOUNDWITH TRIFLUORO-ACETIC ACID
FormulaC13 H19 N3 O2 . C2 H F3 O2
1Identification
【Name】
2-[(PIPERIDIN-4-YLMETHYL)-AMINO]-NICOTINIC ACID METHYL ESTER COMPOUNDWITH TRIFLUORO-ACETIC ACID
【CAS】
【MDL】
MFCD08752725
【English Synonyms】
【Formula】
C13 H19 N3 O2 . C2 H F3 O2
【MolWeight】
363.334
【Inchi】
InChI=1S/C13H19N3O2.C2HF3O2/c1-18-13(17)11-3-2-6-15-12(11)16-9-10-4-7-14-8-5-10;3-2(4,5)1(6)7/h2-3,6,10,14H,4-5,7-9H2,1H3,(H,15,16);(H,6,7)
【InChIKey】
InChIKey=FQDYSKMZJNNPKL-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cccnc1NCC2CCNCC2.C(=O)(C(F)(F)F)O
【MOL File】
2-[(PIPERIDIN-4-YLME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(PIPERIDIN-4-YLMETHYL)-AMINO]-NICOTINIC ACID METHYL ESTER COMPOUNDWITH TRIFLUORO-ACETIC ACID.cml