885956-64-9
1-BENZYL-3-METHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID
Name1-BENZYL-3-METHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID
1Identification
【Name】
1-BENZYL-3-METHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID
【CAS】
【MDL】
MFCD05662763
【English Synonyms】
【Formula】
C14 H17 N O4
【MolWeight】
263.291
【Inchi】
InChI=1S/C14H17NO4/c1-14(13(18)19)9-15(8-11(14)12(16)17)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,17)(H,18,19)
【InChIKey】
InChIKey=JGJXGCZDMHNSGH-UHFFFAOYSA-N
【SMILES】
CC1(CN(CC1C(=O)O)Cc2ccccc2)C(=O)O
【MOL File】
1-BENZYL-3-METHYL-PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYL-3-METHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID.cml