77234-91-4
BENZYL ALCOHOL, ALPHA-(1-(1-IMIDAZOLYL)ETHYL)-4-PHENETHYL-, HYDROCHLOR IDE
NameBENZYL ALCOHOL, ALPHA-(1-(1-IMIDAZOLYL)ETHYL)-4-PHENETHYL-, HYDROCHLOR IDE
FormulaC20 H22 N2 O . Cl H
1Identification
【Name】
BENZYL ALCOHOL, ALPHA-(1-(1-IMIDAZOLYL)ETHYL)-4-PHENETHYL-, HYDROCHLOR IDE
【CAS】
【MDL】
MFCD01732718
【English Synonyms】
【Formula】
C20 H22 N2 O . Cl H
【MolWeight】
342.868
【Inchi】
InChI=1S/C20H22N2O.ClH/c1-16(22-14-13-21-15-22)20(23)19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17;/h2-6,9-16,20,23H,7-8H2,1H3;1H
【InChIKey】
InChIKey=UXLRBCYDGGFXFC-UHFFFAOYSA-N
【SMILES】
CC(C(c1ccc(cc1)CCc2ccccc2)O)n3ccnc3.Cl
【MOL File】
BENZYL ALCOHOL, ALPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL ALCOHOL, ALPHA-(1-(1-IMIDAZOLYL)ETHYL)-4-PHENETHYL-, HYDROCHLOR IDE.cml