Urea,N-(2-methylpropyl)-

The Urea,N-(2-methylpropyl)-, with CAS registry number 592-17-6, belongs to the following product categories: (1)Miscellaneous Reagents; (2)Intermediates. It has the systematic name of 1-(2-methylpropyl)urea. This chemical is a kind of white crystals. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₅H₁₂N₂O.

Physical properties of Urea,N-(2-methylpropyl)-: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.94; (8)ACD/KOC (pH 7.4): 29.94; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 32.33 cm³; (15)Molar Volume: 121 cm³; (16)Polarizability: 12.81×10^-24cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 0.959 g/cm³; (19)Flash Point: 57.5 °C; (20)Enthalpy of Vaporization: 40.78 kJ/mol; (21)Boiling Point: 171.5 °C at 760 mmHg; (22)Vapour Pressure: 1.4 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)NCC(C)C
(2)InChI: InChI=1/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
(3)InChIKey: MQBITTBZTXUIPN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
(5)Std. InChIKey: MQBITTBZTXUIPN-UHFFFAOYSA-N

The toxicity data is as follows: