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2H-1,4-Benzoxazin-3(4H)-one,6-amino-4-methyl-

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Name

2H-1,4-Benzoxazin-3(4H)-one,6-amino-4-methyl-

EINECS N/A
CAS No. 103361-43-9 Density 1.299 g/cm3
PSA 55.56000 LogP 1.27020
Solubility N/A Melting Point 152-153.5 °C
Formula C9H10N2O2 Boiling Point 486.2 °C at 760 mmHg
Molecular Weight 178.19 Flash Point 247.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 103361-43-9 (6-AMINO-4-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE) Hazard Symbols IrritantXi
Synonyms

6-Amino-4-methyl-2h-1,4-benzoxazin-3(4h)-one;6-Amino-4-methyl-4h-benzo[1,4]oxazin-3-one;

Article Data 6

2H-1,4-Benzoxazin-3(4H)-one,6-amino-4-methyl- Specification

The CAS register number of 2H-1,4-Benzoxazin-3(4H)-one,6-amino-4-methyl- is 103361-43-9. It also can be called as 6-Amino-4-methyl-4h-benzo[1,4]oxazin-3-one and the IUPAC name about this chemical is 6-amino-4-methyl-1,4-benzoxazin-3-one. The molecular formula about this chemical is C9H10N2O2 and the molecular weight is 178.19. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.

Physical properties about 2H-1,4-Benzoxazin-3(4H)-one,6-amino-4-methyl- are: (1)ACD/LogP: -0.13; (2)ACD/LogD (pH 5.5): -0.16; (3)ACD/LogD (pH 7.4): -0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.06; (7)ACD/KOC (pH 7.4): 20.2; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 48.06 cm3; (14)Molar Volume: 137.1 cm3; (15)Polarizability: 19.05x10-24cm3; (16)Surface Tension: 54.3 dyne/cm; (17)Density: 1.299 g/cm3; (18)Flash Point: 247.9 °C; (19)Enthalpy of Vaporization: 75.19 kJ/mol; (20)Boiling Point: 486.2 °C at 760 mmHg; (21)Vapour Pressure: 1.32E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(c2c(OC1)ccc(N)c2)C
(2)InChI: InChI=1/C9H10N2O2/c1-11-7-4-6(10)2-3-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
(3)InChIKey: QXLKSGOSLHFMIU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H10N2O2/c1-11-7-4-6(10)2-3-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
(5)Std. InChIKey: QXLKSGOSLHFMIU-UHFFFAOYSA-N

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