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858783-30-9

Basic Information
CAS No.: 858783-30-9
Name: 4-amino-3,4-dihydroquinolin-2(1H)-one(SALTDATA: HCl)
Molecular Structure:
Molecular Structure of 858783-30-9 (4-amino-3,4-dihydroquinolin-2(1H)-one(SALTDATA: HCl))
Formula: C9H10N2O
Molecular Weight: 162.19
Synonyms: 4-Amino-3,4-dihydroquinolin-2(1H)-one;4-Aminohydrocarbostyril;Hydrocarbostyril, 4-amino- (4CI);
Density: 1.189 g/cm3
Boiling Point: 339.891 °C at 760 mmHg
Flash Point: 159.361 °C
PSA: 58.61000
LogP: 1.81400
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Specification

The 4-Amino-3,4-dihydro-2(1H)-quinolinone, with the CAS registry number 858783-30-9, is also known as 4-Aminohydrocarbostyril. This chemical's molecular formula is C9H10N2O and molecular weight is 162.19. What's more, its systematic name is 4-Amino-3,4-dihydro-2(1H)-quinolinone.

Physical properties of 4-Amino-3,4-dihydro-2(1H)-quinolinone are: (1)ACD/LogP: 0.085; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.21; (4)ACD/LogD (pH 7.4): -0.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 6.77; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.12 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 45.459 cm3; (15)Molar Volume: 136.364 cm3; (16)Polarizability: 18.021×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.189 g/cm3; (19)Flash Point: 159.361 °C; (20)Enthalpy of Vaporization: 58.339 kJ/mol; (21)Boiling Point: 339.891 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(CC(=O)N2)N
(2)Std. InChI: InChI=1S/C9H10N2O/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-4,7H,5,10H2,(H,11,12)
(3)Std. InChIKey: DLABPBKCFXRHPA-UHFFFAOYSA-N