CAS No.197145-37-2,3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	197145-37-2
Name:	3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone
Article Data:	5

Formula:	C₁₃H₁₉NO₂
Molecular Weight:	221.299
Synonyms:	3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one;
Density:	1.012 g/cm³
Boiling Point:	315.8 °C at 760 mmHg
Flash Point:	144.8 °C
PSA:	29.54000
LogP:	2.07560

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Specification

The 1-Propanone,3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-, with the CAS registry number 197145-37-2, is also known as 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one. This chemical's molecular formula is C₁₃H₁₉NO₂ and molecular weight is 221.2955. What's more, its systematic name is called 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one.

Physical properties about 1-Propanone,3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl- are: (1)ACD/LogP: 2.27; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.04; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.61; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 65.17 cm³; (14)Molar Volume: 218.6 cm³; (15)Polarizability: 25.83×10^-24cm³; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 1.012 g/cm³; (18)Flash Point: 144.8 °C; (19)Enthalpy of Vaporization: 55.7 kJ/mol; (20)Boiling Point: 315.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000428 mmHg at 25 °C .

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1)C(=O)C(C)CN(C)C
(2) InChI: InChI=1/C13H19NO2/c1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4/h5-8,10H,9H2,1-4H3
(3) InChIKey: YHCVGGJYRMYIGG-UHFFFAOYAV