| Identification | |
| Name: | Phosphoramidic acid,(1-methyl-4-oxo-2-imidazolidinylidene)-, bis(phenylmethyl) ester (9CI) |
| Synonyms: | Creatininephosphoricacid, dibenzyl ester (6CI);Phosphoramidic acid,(1-methyl-4-oxo-2-imidazolidinylidene)-, dibenzyl ester (8CI); |
| CAS: | 19208-69-6 |
| EINECS: | 242-880-0 |
| Molecular Formula: | C18H20N3O4P |
| Molecular Weight: | 373.3429 |
| InChI: | InChI=1/C18H20N3O4P/c1-21-12-17(22)19-18(21)20-26(23,24-13-15-8-4-2-5-9-15)25-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,19,20,22,23) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.31 |
| Refractive index: | 1.614 |
| Specification: |
The cas register number of Dibanzyloxy phosphatecreatinine is 19208-69-6. It also can be called as Dibenzyl (1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)phosphoramidate and the systematic name about this chemical is 2-[bis(phenylmethoxy)phosphorylamino]-3-methyl-4H-imidazol-5-one. Physical properties about Dibanzyloxy phosphatecreatinine are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.44; (6)ACD/BCF (pH 7.4): 6.44; (7)ACD/KOC (pH 5.5): 132.02; (8)ACD/KOC (pH 7.4): 132.02; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.25Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 99.07 cm3; (15)Molar Volume: 284 cm3; (16)Surface Tension: 54.8 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 254.5 °C; (19)Enthalpy of Vaporization: 76.51 kJ/mol; (20)Boiling Point: 497.1 °C at 760 mmHg; (21)Vapour Pressure: 5.08E-10 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
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