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

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Name

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

EINECS N/A
CAS No. 42471-42-1 Density 1.191 g/cm3
PSA 54.02000 LogP 1.94390
Solubility N/A Melting Point 112-114 °C
Formula C10H14ClN3O Boiling Point 444.9 °C at 760 mmHg
Molecular Weight 227.694 Flash Point 222.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 42471-42-1 (N-(2-CHLOROETHYL)-N'-[2-(2-PYRIDINYL)ETHYL]UREA) Hazard Symbols IrritantXi
Synonyms

1-(2-Chloroethyl)-3-(2-pyridin-2-ylethyl)urea;

 

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

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

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