1-N-BUTYLHYDANTOIN

The 2,4-Imidazolidinedione,1-butyl-, with the CAS registry number 33599-32-5, is also known as 1-Butylhydantoin. Its EINECS number is 251-585-6. This chemical's molecular formula is C₇H₁₂N₂O₂ and molecular weight is 115.09. What's more, its systematic name is 1-butylimidazolidine-2,4-dione.

Physical properties of 2,4-Imidazolidinedione,1-butyl- are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.31; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 39.6 cm³; (15)Molar Volume: 139.3 cm³; (16)Polarizability: 15.69×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.12 g/cm³.

Preparation of 2,4-Imidazolidinedione,1-butyl-: this chemical can be prepared by (1-butyl-ureido)-acetic acid ethyl ester by heating. This reaction will need solvent aq. HCl with the reaction time of 1 hour. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CCCC)CC(=O)N1
(2)InChI: InChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(10)8-7(9)11/h2-5H2,1H3,(H,8,10,11)
(3)InChIKey: NOHNSECEKFOVGT-UHFFFAOYSA-N