Dibanzyloxy phosphatecreatinine supplier

Name
Dibanzyloxy phosphatecreatinine
EINECS 242-880-0
CAS No. 19208-69-6
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₀N₃O₄P
Boiling Point 497.1 °C at 760 mmHg
Molecular Weight 373.348
Flash Point 254.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Creatininephosphoricacid, dibenzyl ester (6CI);Phosphoramidic acid,(1-methyl-4-oxo-2-imidazolidinylidene)-, dibenzyl ester (8CI);
PSA 90.04000
LogP 2.71010

Dibanzyloxy phosphatecreatinine 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.
1.SMILES: O=C3/N=C(/NP(=O)(OCc1ccccc1)OCc2ccccc2)N(C)C3
2.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)
3.InChIKey: FFEFFWWQHCAWCF-UHFFFAOYAF
4.Std. InChI: InChI=1S/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)

Product Name

Dibanzyloxy phosphatecreatinine

Dibanzyloxy phosphatecreatinine Specification

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