575467-49-1
2-PROPEN-1-ONE, 1-[(2S)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]-, (HYDROCHLORIDE) (1:1), (2E)-
Name2-PROPEN-1-ONE, 1-[(2S)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]-, (HYDROCHLORIDE) (1:1), (2E)-
pro_formulaC19 H23 F3 N2 O . Cl H
1Identification
【Name】
2-PROPEN-1-ONE, 1-[(2S)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]-, (HYDROCHLORIDE) (1:1), (2E)-
【CAS】
【MDL】
MFCD18782649
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H23 F3 N2 O . Cl H
【pro_molWeight】
388.859
【Inchi】
InChI=1S/C19H23F3N2O.ClH/c20-19(21,22)16-8-5-15(6-9-16)7-10-18(25)24-13-3-4-17(24)14-23-11-1-2-12-23;/h5-10,17H,1-4,11-14H2;1H/b10-7+;/t17-;/m0./s1
【InChIKey】
InChIKey=BOLKQYLERUXVTK-UFQLBUPSSA-N
【SMILES】
c1cc(ccc1/C=C/C(=O)N2CCC[C@H]2CN3CCCC3)C(F)(F)F.Cl
【MOL File】
2-PROPEN-1-ONE, 1-[(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-PROPEN-1-ONE, 1-[(2S)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]-, (HYDROCHLORIDE) (1:1), (2E)-.cml