77-50-9
BENZENEETHANOL, ALPHA-2-(DIMETHYLAMINO)-1-METHYLETHYL-ALPHA-PHENYL-, PROPANOATE (ESTER)
NameBENZENEETHANOL, ALPHA-2-(DIMETHYLAMINO)-1-METHYLETHYL-ALPHA-PHENYL-, PROPANOATE (ESTER)
1Identification
【Name】
BENZENEETHANOL, ALPHA-2-(DIMETHYLAMINO)-1-METHYLETHYL-ALPHA-PHENYL-, PROPANOATE (ESTER)
【CAS】
【MDL】
MFCD01941650
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H29 N O2
【pro_molWeight】
339.476
【Inchi】
InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1
【InChIKey】
InChIKey=XLMALTXPSGQGBX-ZZWBGTBQSA-N
【SMILES】
CCC(=O)OC(Cc1ccccc1)(c2ccccc2)[C@H](C)CN(C)C
【MOL File】
BENZENEETHANOL, ALPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZENEETHANOL, ALPHA-2-(DIMETHYLAMINO)-1-METHYLETHYL-ALPHA-PHENYL-, PROPANOATE (ESTER).cml