885958-71-4
1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLIC ACID
Name1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05662802
【English Synonyms】
【Formula】
C13 H17 N O2
【MolWeight】
219.282
【Inchi】
InChI=1S/C13H17NO2/c1-10-7-14(9-12(10)13(15)16)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)
【InChIKey】
InChIKey=LMUPOQGHGMIUFC-UHFFFAOYSA-N
【SMILES】
CC1CN(CC1C(=O)O)Cc2ccccc2
【MOL File】
1-BENZYL-4-METHYL-PY….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-METHYL-PYRROLIDINE-3-CARBOXYLIC ACID.cml