919366-33-9
BENZYL 2-N-BUTYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
NameBENZYL 2-N-BUTYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
1Identification
【Name】
BENZYL 2-N-BUTYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
【CAS】
【MDL】
MFCD11975372
【English Synonyms】
【Formula】
C17 H21 N O3
【MolWeight】
287.357
【Inchi】
InChI=1S/C17H21NO3/c1-2-3-9-15-12-16(19)10-11-18(15)17(20)21-13-14-7-5-4-6-8-14/h4-8,10-11,15H,2-3,9,12-13H2,1H3
【InChIKey】
InChIKey=HKQZGCXWECGGSU-UHFFFAOYSA-N
【SMILES】
CCCCC1CC(=O)C=CN1C(=O)OCc2ccccc2
【MOL File】
BENZYL 2-N-BUTYL-4-O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 2-N-BUTYL-4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE.cml