887922-93-2
3-(PYRROLIDIN-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE
Name3-(PYRROLIDIN-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE
FormulaC12 H15 N O2 . Cl H
1Identification
【Name】
3-(PYRROLIDIN-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD08690301
【English Synonyms】
【Formula】
C12 H15 N O2 . Cl H
【MolWeight】
241.716
【Inchi】
InChI=1S/C12H15NO2.ClH/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13;/h3-5,8H,1-2,6-7,9H2,(H,14,15);1H
【InChIKey】
InChIKey=BORITTZEFSYNFT-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)O)CN2CCCC2.Cl
【MOL File】
3-(PYRROLIDIN-1-YLME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(PYRROLIDIN-1-YLMETHYL)BENZOIC ACID HYDROCHLORIDE.cml