CAS No.56917-44-3,1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	56917-44-3
Name:	1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one

Formula:	C₁₆H₁₇NO₂
Molecular Weight:	255.31168
Synonyms:	1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethan-1-one;
EINECS:	260-431-7
Density:	1.158 g/cm³
Boiling Point:	420.6 °C at 760 mmHg
Flash Point:	208.2 °C
PSA:	40.54000
LogP:	2.70690

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Specification

The CAS register number of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethan-1-one is 56917-44-3. It also can be called as Ethanone,1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]- and the systematic name about this chemical is 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone. The molecular formula about this chemical is C₁₆H₁₇NO₂ and the molecular weight is 255.31168.

Physical properties about are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 3.31; (4)ACD/BCF (pH 5.5): 45.82; (5)ACD/BCF (pH 7.4): 189.6; (6)ACD/KOC (pH 5.5): 352.73; (7)ACD/KOC (pH 7.4): 1459.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 75.63 cm³; (14)Molar Volume: 220.3 cm³; (15)Polarizability: 29.98x10^-24cm³; (16)Surface Tension: 49.6 dyne/cm; (17)Enthalpy of Vaporization: 70.06 kJ/mol; (18)Boiling Point: 420.6 °C at 760 mmHg; (19)Vapour Pressure: 1.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(O)ccc1)CN(Cc2ccccc2)C
(2)InChI: InChI=1/C16H17NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,18H,11-12H2,1H3
(3)InChIKey: DWMWFFWZJCCKCS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H17NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,18H,11-12H2,1H3
(5)Std. InChIKey: DWMWFFWZJCCKCS-UHFFFAOYSA-N