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Name |
3,3'-(Ethylenediiminodimethylene)bis(5,5-diphenylhydantoin) |
EINECS | N/A |
CAS No. | 21322-39-4 | Density | 1.292 g/cm3 |
PSA | 129.86000 | LogP | 3.00940 |
Solubility | N/A | Melting Point |
N/A |
Formula | C34H32N6O4 | Boiling Point | N/A |
Molecular Weight | 588.666 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3-(Ethylenebisiminobismethylene)bis(5,5-diphenyl-2,4-imidazolidinedione) |
This chemical is called 3,3'-(Ethylenediiminodimethylene)bis(5,5-diphenylhydantoin), and its IUPAC name is 3-[[2-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methylamino]ethylamino]methyl]-5,5-diphenylimidazolidine-2,4-dione. With the molecular formula of C34H32N6O4, its molecular weight is 588.66. The CAS registry number of this chemical is 21322-39-4.
Other characteristics of the 3,3'-(Ethylenediiminodimethylene)bis(5,5-diphenylhydantoin) can be summarised as followings: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 16.77; (6)ACD/BCF (pH 7.4): 13.96; (7)ACD/KOC (pH 5.5): 93.37; (8)ACD/KOC (pH 7.4): 77.74; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 87.72 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 163.4 cm3; (15)Molar Volume: 455.4 cm3; (16)Polarizability: 64.77×10-24cm3; (17)Surface Tension: 55.9 dyne/cm; (18)Density: 1.292 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C3N(C(=O)C(c1ccccc1)(c2ccccc2)N3)CNCCNCN6C(=O)C(c4ccccc4)(c5ccccc5)NC6=O
2.InChI: InChI=1/C34H32N6O4/c41-29-33(25-13-5-1-6-14-25,26-15-7-2-8-16-26)37-31(43)39(29)23-35-21-22-36-24-40-30(42)34(38-32(40)44,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,35-36H,21-24H2,(H,37,43)(H,38,44)
3.InChIKey: RFQBIWOEAPJXDK-UHFFFAOYAK
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 21, Pg. 113, 1969. |