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545394-33-0

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Basic Information
CAS No.: 545394-33-0
Name: 1-(7-Amino-3,4-dihydroquinolin-1(2H)-yl)ethanone
Article Data: 5
Molecular Structure:
Molecular Structure of 545394-33-0 (1-(7-Amino-3,4-dihydroquinolin-1(2H)-yl)ethanone)
Formula: C11H14N2O
Molecular Weight: 190.245
Synonyms: 1,2,3,4-Tetrahydro-1-acetyl-7-quinolinamine;1-Acetyl-7-amino-1,2,3,4-tetrahydroquinoline;
Density: 1.182 g/cm3
Melting Point: 76-78 °C
Boiling Point: 462.4 °C at 760 mmHg
Flash Point: 233.5 °C
PSA: 46.33000
LogP: 2.21410
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Specification

The 1-(7-Amino-3,4-dihydroquinolin-1(2H)-yl)ethanone, with the CAS registry number 545394-33-0, is also known as 1,2,3,4-Tetrahydro-1-acetyl-7-quinolinamine and 1-Acetyl-7-amino-1,2,3,4-tetrahydroquinoline. This chemical's molecular formula is C11H14N2O and molecular weight is 190.24166. 

Physical properties about 1-(7-Amino-3,4-dihydroquinolin-1(2H)-yl)ethanone are: (1)ACD/LogP: 0.99; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 2.54; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 62.64; (8)ACD/KOC (pH 7.4): 82.16; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.33 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 55.43 cm3; (15)Molar Volume: 160.8 cm3; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.182 g/cm3; (18)Flash Point: 233.5 °C; (19)Enthalpy of Vaporization: 72.35 kJ/mol; (20)Boiling Point: 462.4 °C at 760 mmHg; (21)Vapour Pressure: 9.88E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)N1CCCc2c1cc(cc2)N
(2) InChI: InChI=1/C11H14N2O/c1-8(14)13-6-2-3-9-4-5-10(12)7-11(9)13/h4-5,7H,2-3,6,12H2,1H3
(3) InChIKey: QPSYNMDBUGKTJA-UHFFFAOYAT