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717133-25-0

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Basic Information
CAS No.: 717133-25-0
Name: 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 717133-25-0 (4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride)
Formula: C20H23FN2O2.HCl
Molecular Weight: 378.874
Synonyms: Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, monohydrochloride(9CI);
PSA: 67.49000
LogP: 3.56938
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Specification

The cas register number of 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrochloride is 717133-25-0. It also can be called as Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, hydrochloride (1:1) and the Systematic name about this chemical is benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, hydrochloride (1:1).

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCCC(c1ccc(cc1)F)(c2ccc(cc2CO)C#N)O.Cl
(2)InChI: InChI=1/C20H23FN2O2.ClH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1H
(3)InChIKey: DDEWMBUXBWUKOH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C20H23FN2O2.ClH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1H 
(5)Std. InChIKey: DDEWMBUXBWUKOH-UHFFFAOYSA-N