Basic Information | Post buying leads | Suppliers | Cas Database |
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:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Methyl-7-amino-2H-1,4-benzoxazin-3-one; |
Article Data | 5 |
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