Urea,N-(2-chloroethyl)-N'-[2-(2-pyridinyl)ethyl]-

The Urea, N-(2-chloroethyl)-N'-[2-(2-pyridinyl)ethyl]-, with the CAS registry number of 42471-42-1, is also known as N-(2-Chloroethyl)-N'-[2-(2-pyridinyl)ethyl]urea. This chemical's molecular formula is C₁₀H₁₄ClN₃O and molecular weight is 227.69066. What's more, its systematic name is called 1-(2-Chloroethyl)-3-(2-pyridin-2-ylethyl)urea. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Urea, N-(2-chloroethyl)-N'-[2-(2-pyridinyl)ethyl]- are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.58; (7)ACD/KOC (pH 5.5): 28.9; (8)ACD/KOC (pH 7.4): 48.23; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 59.86 cm³; (15)Molar Volume: 191.1 cm³; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.191 g/cm³; (18)Flash Point: 222.9 °C; (19)Enthalpy of Vaporization: 70.28 kJ/mol; (20)Boiling Point: 444.9 °C at 760 mmHg; (21)Vapour Pressure: 4.13E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCCNC(=O)NCCc1ccccn1
(2) InChI: InChI=1/C10H14ClN3O/c11-5-8-14-10(15)13-7-4-9-3-1-2-6-12-9/h1-3,6H,4-5,7-8H2,(H2,13,14,15)
(3) InChIKey: SMKIWKDSJWTNOO-UHFFFAOYAX