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5706-20-7

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Basic Information
CAS No.: 5706-20-7
Name: 2-[4-(Dimethylamino)benzylidene]indan-1-one
Article Data: 15
Molecular Structure:
Molecular Structure of 5706-20-7 (2-[4-(Dimethylamino)benzylidene]indan-1-one)
Formula: C18H17NO
Molecular Weight: 263.339
Synonyms: 2-[(4-dimethylaminophenyl)methylidene]-3H-inden-1-one;(2E)-2-[(4-dimethylaminophenyl)methylidene]-3H-inden-1-one;2-[4-(Dimethylamino)benzylidene]-1-indanone;1H-Inden-1-one, 2-[4-[ (dimethylamino)phenyl]methylene]-2, 3-dihydro-;1H-Inden-1-one, 2-(4-((dimethylamino)phenyl)methylene)-2,3-dihydro-;
Density: 1.192 g/cm3
Boiling Point: 456.5 °C at 760 mmHg
Flash Point: 185.2 °C
PSA: 20.31000
LogP: 3.57500
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Specification

This chemical is called 2-(4-(Dimethylamino)benzylidene)-1-indanone, and its systematic name is 1H-Inden-1-one, 2-((4-(dimethylamino)phenyl)methylene)-2,3-dihydro-. With the molecular formula of C18H17NO, its molecular weight is 263.33. The CAS registry number of this chemical is 5706-20-7.

Other characteristics of the 2-(4-(Dimethylamino)benzylidene)-1-indanone can be summarised as followings: (1)ACD/LogP: 4.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.88; (5)ACD/BCF (pH 5.5): 2707.52; (6)ACD/BCF (pH 7.4): 3000.29; (7)ACD/KOC (pH 5.5): 9678; (8)ACD/KOC (pH 7.4): 10724.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 83.51 cm3; (15)Molar Volume: 220.7 cm3; (16)Polarizability: 33.1×10-24cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 71.64 kJ/mol; (21)Boiling Point: 456.5 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2c1ccccc1CC2=Cc3ccc(N(C)C)cc3
2.InChI: InChI=1/C18H17NO/c1-19(2)16-9-7-13(8-10-16)11-15-12-14-5-3-4-6-17(14)18(15)20/h3-11H,12H2,1-2H3
3.InChIKey: YCKZAOPKIOWTEH-UHFFFAOYAJ