-
Name
1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
- EINECS 261-806-8
- CAS No. 59564-78-2
- Article Data4
- CAS DataBase
- Density 1.426 g/cm3
- Solubility
- Melting Point 170-174 °C(lit.)
- Formula C19H18N2O5
- Boiling Point 654.2 °C at 760 mmHg
- Molecular Weight 354.362
- Flash Point 349.5 °C
- Transport Information
- Appearance white crystal powder
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid;
- PSA 98.15000
- LogP 1.90660
1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid Specification
The 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, with the CAS registry number 59564-78-2, is also known as 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid. It belongs to the product categories of Organic Acids; Heterocyclic Compounds; (intermediate of d-biotin); Building Blocks; Heterocyclic Building Blocks; Imidazolines/Imidazolidines. Its EINECS registry number is 261-806-8. This chemical's molecular formula is C11H8O4 and molecular weight is 354.36. Its IUPAC name is called 1,3-bis(furan-2-yl)propane-1,3-dione. The product should be sealed and stored in cool and dry place. It can be used as intermediates of Biotin.
Physical properties of 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 1.23; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1.45; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.37; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.659; (12)Molar Refractivity: 91.64 cm3; (13)Molar Volume: 248.4 cm3; (14)Surface Tension: 73.1 dyne/cm; (15)Density: 1.426 g/cm3; (16)Flash Point: 349.5 °C; (17)Enthalpy of Vaporization: 101.26 kJ/mol; (18)Boiling Point: 654.2 °C at 760 mmHg; (19)Vapour Pressure: 5.22E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=COC(=C1)C(=O)CC(=O)C2=CC=CO2
(2)InChI: InChI=1S/C11H8O4/c12-8(10-3-1-5-14-10)7-9(13)11-4-2-6-15-11/h1-6H,7H2
(3)InChIKey: KCLJMJPZQAPYOG-UHFFFAOYSA-N
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