84628-14-8
5-(4-METHOXYPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRROLIUM-1-OLATE
Name5-(4-METHOXYPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRROLIUM-1-OLATE
1Identification
【Name】
5-(4-METHOXYPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRROLIUM-1-OLATE
【CAS】
【MDL】
MFCD00665738
【English Synonyms】
【Formula】
C13 H17 N O2
【MolWeight】
219.282
【Inchi】
InChI=1S/C13H17NO2/c1-13(2)9-8-12(14(13)15)10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3
【InChIKey】
InChIKey=DWDCLCNGRSPLAB-UHFFFAOYSA-N
【SMILES】
CC1(CCC(=[N+]1[O-])c2ccc(cc2)OC)C
【MOL File】
5-(4-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-METHOXYPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRROLIUM-1-OLATE.cml