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Name |
2,3-Diphenyloxaziridine |
EINECS | N/A |
CAS No. | 19689-58-8 | Density | 1.205 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H11NO | Boiling Point | 290.035 °C at 760 mmHg |
Molecular Weight | 197.236 | Flash Point | 87.385 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
The chemical with CAS registry number of 19689-58-8 is known as Oxaziridine, 2,3-diphenyl-. The systematic name is 2,3-Diphenyloxaziridine. In addition, the formula is C13H11NO and the molecular weight is 197.23.
Physical properties of Oxaziridine, 2,3-diphenyl-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 76; (6)ACD/BCF (pH 7.4): 76; (7)ACD/KOC (pH 5.5): 770; (8)ACD/KOC (pH 7.4): 770; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.54 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 58.672 cm3; (15)Molar Volume: 163.714 cm3; (16)Polarizability: 23.259×10-24cm3; (17)Surface Tension: 48.774 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 87.385 °C; (20)Enthalpy of Vaporization: 52.938 kJ/mol; (21)Boiling Point: 290.035 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1. SMILES: c1ccccc1N2OC2c3ccccc3
2. InChI: InChI=1/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
3. InChIKey: FKOFHTNGBBAITL-UHFFFAOYAC
4. Std. InChI: InChI=1S/C13H11NO/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
5. Std. InChIKey: FKOFHTNGBBAITL-UHFFFAOYSA-N