901920-73-8
1-(2-BROMOBENZYL)PIPERIDINE-4-CARBOXYLIC ACID
Name1-(2-BROMOBENZYL)PIPERIDINE-4-CARBOXYLIC ACID
1Identification
【Name】
1-(2-BROMOBENZYL)PIPERIDINE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD05169712
【English Synonyms】
【Formula】
C13 H16 Br N O2
【MolWeight】
298.178
【Inchi】
InChI=1S/C13H16BrNO2/c14-12-4-2-1-3-11(12)9-15-7-5-10(6-8-15)13(16)17/h1-4,10H,5-9H2,(H,16,17)
【InChIKey】
InChIKey=WKRVZVBSIUKSES-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CN2CCC(CC2)C(=O)O)Br
【MOL File】
1-(2-BROMOBENZYL)PIP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-BROMOBENZYL)PIPERIDINE-4-CARBOXYLIC ACID.cml