-
Name
3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone
- EINECS
- CAS No. 197145-37-2
- Article Data5
- CAS DataBase
- Density 1.012 g/cm3
- Solubility
- Melting Point
- Formula C13H19NO2
- Boiling Point 315.8 °C at 760 mmHg
- Molecular Weight 221.299
- Flash Point 144.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one;
- PSA 29.54000
- LogP 2.07560
1-Propanone,3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl- 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: 25.83×10-24 cm3; (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
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- 1971-49-9
- 19715-19-6
- 19715-80-1
- 197159-86-7
- 19716-56-4
- 19716-66-6
- 19716-69-9
- 197178-93-1
- 19717-98-7
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