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2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl-

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Name

2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl-

EINECS N/A
CAS No. 141068-81-7 Density 1.299 g/cm3
PSA 55.56000 LogP 1.27020
Solubility N/A Melting Point 141-143 °C
Formula C9H10N2O2 Boiling Point 488.5 °C at 760 mmHg
Molecular Weight 178.191 Flash Point 249.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 141068-81-7 (7-AMINO-4-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE) Hazard Symbols IrritantXi
Synonyms

4-Methyl-7-amino-2H-1,4-benzoxazin-3-one;

Article Data 5

2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl- Specification

This chemical is called 2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl-, and its CAS registry number is 141068-81-7. With the molecular formula of C9H10N2O2, its molecular weight is 178.19.

Other characteristics of the 2H-1,4-Benzoxazin-3(4H)-one, 7-amino-4-methyl- can be summarised as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.44; (8)ACD/KOC (pH 7.4): 22.63; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 48.06 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 19.05×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.299 g/cm3; (19)Flash Point: 249.3 °C; (20)Enthalpy of Vaporization: 75.47 kJ/mol; (21)Boiling Point: 488.5 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1N(c2c(OC1)cc(cc2)N)C
2.InChI: InChI=1/C9H10N2O2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
3.InChIKey: JVYJTIARQJQCKK-UHFFFAOYAB

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