874990-41-7
1-BENZYL-4-(2-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
Name1-BENZYL-4-(2-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-BENZYL-4-(2-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09998920
【English Synonyms】
【Formula】
C19 H21 N O2
【MolWeight】
295.38
【Inchi】
InChI=1S/C19H21NO2/c1-14-7-5-6-10-16(14)17-12-20(13-18(17)19(21)22)11-15-8-3-2-4-9-15/h2-10,17-18H,11-13H2,1H3,(H,21,22)
【InChIKey】
InChIKey=SRTWLLSJNUBXOM-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1C2CN(CC2C(=O)O)Cc3ccccc3
【MOL File】
1-BENZYL-4-(2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYL-4-(2-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID.cml