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64058-44-2

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Basic Information
CAS No.: 64058-44-2
Name: [4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl](methyl) ketone
Molecular Structure:
Molecular Structure of 64058-44-2 ([4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl](methyl) ketone)
Formula: C14H19 N O2
Molecular Weight: 233.31
Synonyms: Ketone,4-(m-hydroxyphenyl)-1-methyl-4-piperidyl methyl (6CI)
Density: 1.112g/cm3
Melting Point: 158-159 °C
Boiling Point: 378.3°C at 760 mmHg
Flash Point: 182.6°C
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 40.54000
LogP: 1.88250
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Chemistry

The Molecular Structure of Methyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone (CAS NO.64058-44-2):

Molecular Formula: C14H19NO2
Molecular Weight: 233.306160 g/mol
IUPAC: 1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]ethanone
Index of Refraction: 1.549
Molar Refractivity: 66.76 cm3
Molar Volume: 209.8 cm3
Surface Tension: 43.1 dyne/cm
Density: 1.112 g/cm3
Flash Point: 182.6 °C
Enthalpy of Vaporization: 65.08 kJ/mol
Boiling Point: 378.3 °C at 760 mmHg
Vapour Pressure: 2.91E-06 mmHg at 25°C
InChI
InChI=1/C14H19NO2/c1-11(16)14(6-8-15(2)9-7-14)12-4-3-5-13(17)10-12/h3-5,10,17H,6-9H2,1-2H3
Smiles
C1(c2cc(ccc2)O)(CCN(C)CC1)C(C)=O
Classification Code: Drug /Therapeutic Agent.

Toxicity Data With Reference

1.    

ivn-mus LD50:104 mg/kg

     SCIEAS    Science. 104 (1946),587.

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 Methyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl ketone (CAS NO.64058-44-2) is also called as 4-21-00-06104 (Beilstein Handbook Reference) ; BRN 0200192 ; Ketone, 4-(m-hydroxyphenyl)-1-methylisonipecotinoyl methyl .