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CAS No.: | 86636-92-2 |
---|---|
Name: | 6-ACRYLOYL-2-DIMETHYLAMINONAPHTHALENE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C15H15NO |
Molecular Weight: | 225.29 |
Synonyms: | Acrylodan; |
Density: | 1.101 g/cm3; |
Boiling Point: | 388.254 °C at 760 mmHg |
Flash Point: | 153.057 °C |
PSA: | 20.31000 |
LogP: | 3.27450 |
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The 2-Propen-1-one, 1-[6-(dimethylamino)-2-naphthalenyl]-, with the CAS registry number of 86636-92-2, is also known as Acrylodan and 1-(6-(Dimethylamino)-2-naphthalenyl)-2-propen-1-one. This chemical's molecular formula is C15H15NO and molecular weight is 225.29. What's more, its IUPAC name is 1-[6-(Dimethylamino)naphthalen-2-yl]prop-2-en-1-one. This chemical's classification codes are Coloring Agents; Fluorescent Dyes; Indicators and Reagents; Luminescent Agents.
Physical properties about 2-Propen-1-one, 1-[6-(dimethylamino)-2-naphthalenyl]- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.991; (4)ACD/LogD (pH 7.4): 3.018; (5)ACD/BCF (pH 5.5): 108.673; (6)ACD/BCF (pH 7.4): 115.799; (7)ACD/KOC (pH 5.5): 979.768; (8)ACD/KOC (pH 7.4): 1044.017; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 72.795 cm3; (15)Molar Volume: 204.671 cm3; (16)Polarizability: 28.858×10-24 cm3; (17)Surface Tension: 43.99 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 153.057 °C; (20)Enthalpy of Vaporization: 63.743 kJ/mol; (21)Boiling Point: 388.254 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)c1ccc2cc(ccc2c1)C(=O)C=C
(2) InChI: InChI=1/C15H15NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h4-10H,1H2,2-3H3
(3) InChIKey: HMWAJFNEGAJETK-UHFFFAOYAX