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5873-00-7

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Basic Information
CAS No.: 5873-00-7
Name: 3-Aminoquinoline-2(1H)-one
Article Data: 11
Molecular Structure:
Molecular Structure of 5873-00-7 (3-Aminoquinoline-2(1H)-one)
Formula: C9H8N2O
Molecular Weight: 160.175
Synonyms: 3-Amino-2(1H)-quinolinone;
Density: 1.255 g/cm3
Melting Point: 285℃ (ethanol )
Boiling Point: 409.909 °C at 760 mmHg
Flash Point: 201.706 °C
PSA: 59.14000
LogP: 2.10380
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Specification

This chemical is called 3-Aminoquinoline-2(1H)-one, and its systematic name is 3-Aminoquinolin-2(1H)-one. With the molecular formula of C9H8N2O, its molecular weight is 160.17. The CAS registry number of the chemical is 5873-00-7.

Other characteristics of 3-Aminoquinoline-2(1H)-one can be summarised as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 49; (8)ACD/KOC (pH 7.4): 50; (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: 1.624; (14)Molar Refractivity: 45.058 cm3; (15)Molar Volume: 127.651 cm3; (16)Polarizability: 17.863×10-24cm3; (17)Surface Tension: 50.073 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 201.706 °C; (20)Enthalpy of Vaporization: 66.216 kJ/mol; (21)Boiling Point: 409.909 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2/C(=C\c1c(cccc1)N2)N
2.InChI: InChI=1/C9H8N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,10H2,(H,11,12)
3.InChIKey: KWMUSDDZNYHIBR-UHFFFAOYAO
4.Std. InChI: InChI=1S/C9H8N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,10H2,(H,11,12)
5.Std. InChIKey: KWMUSDDZNYHIBR-UHFFFAOYSA-N