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93413-76-4

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Basic Information
CAS No.: 93413-76-4
Name: 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol
Article Data: 35
Molecular Structure:
Molecular Structure of 93413-76-4 (1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol)
Formula: C15H19NO2
Molecular Weight: 245.321
Synonyms: 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol;
EINECS: 618-945-8
Density: 1.142 g/cm3
Melting Point: 121-123 °C
Boiling Point: 410.146 °C at 760 mmHg
Flash Point: 201.849 °C
Appearance: white powder
PSA: 53.25000
LogP: 2.99758
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Chemistry

 
Systematic Name: (1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile 
Molecular Formula: C15H19NO2
Molecular Weight: 245.32 g/mol
Canonical SMILES: N#CC(c1ccc(OC)cc1)C2(O)CCCCC2
InChI: InChI=1/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3
Product Categories: Medicine intermediate;Nitriles; API intermediates; (intermediate of venlafaxine); (intermediate of venlafaxine hcl); Intermediates & Fine Chemicals; Pharmaceuticals
Surface Tension: 48.144 dyne/cm 
Density: 1.142 g/cm3 
Flash Point: 201.849 °C 
Enthalpy of Vaporization: 69.848 kJ/mol 
Boiling Point: 410.146 °C at 760 mmHg
Melting Point: 121-123 °C
Vapour Pressure of 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol (CAS NO.93413-76-4): 0 mmHg at 25 °C

Uses

 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol (CAS NO.93413-76-4) is used as an intermediate in the synthesis of N,O-Didesmethylvenlafaxine, a metabolite of Venlafaxine .

Specification

 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol (CAS NO.93413-76-4), its Synonyms are 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol ; 1-[Cyno-(4-methoxyphenyl)methyl]cyclohexanol(VF1) ; 1-Hydroxycyclohexyl-4-methoxyphenylacetonitrile(forvenlafaxineHCl) ; alpha-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile . It is white powder.