Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2H-1,4-Benzoxazin-3(4H)-one, 8-amino- |
EINECS | N/A |
CAS No. | 321126-82-3 | Density | 1.344 g/cm3 |
PSA | 67.84000 | LogP | 1.26600 |
Solubility | N/A | Melting Point |
300 °C |
Formula | C8H8N2O2 | Boiling Point | 407.658 °C at 760 mmHg |
Molecular Weight | 164.16 | Flash Point | 200.345 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
8-Amino-2H-1,4-benzoxazin-3(4H)-one;8-Amino-2,3-dihydro-3-oxo-4H-1,4-benzoxazine;8-Amino-2H-benzo[b][1,4]oxazin-3(4H)-one; |
Article Data | 17 |
The 2H-1,4-Benzoxazin-3(4H)-one, 8-amino-, with the CAS registry number 321126-82-3, is also known as 8-Amino-2,3-dihydro-3-oxo-4H-1,4-benzoxazine. This chemical's molecular formula is C8H8N2O2 and molecular weight is 164.16. What's more, its systematic name is 8-Amino-2H-1,4-benzoxazin-3(4H)-one.
Physical properties of 2H-1,4-Benzoxazin-3(4H)-one, 8-amino- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 64.35 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 43.135 cm3; (9)Molar Volume: 122.117 cm3; (10)Polarizability: 17.1×10-24 cm3; (11)Surface Tension: 56.073 dyne/cm; (12)Density: 1.344 g/cm3; (13)Flash Point: 200.345 °C; (14)Enthalpy of Vaporization: 65.957 kJ/mol; (15)Boiling Point: 407.658 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Nc2c(OC1)c(ccc2)N
(2)InChI: InChI=1S/C8H8N2O2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4,9H2,(H,10,11)
(3)InChIKey: ACJWMXHKIDYANL-UHFFFAOYSA-N