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147011-41-4

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Basic Information
CAS No.: 147011-41-4
Name: 1-[2-(Bromomethyl)-1,3-dioxolan-2-yl]-N-(phenylmethyl)cyclopropanecarboxamide
Article Data: 2
Molecular Structure:
Molecular Structure of 147011-41-4 (1-[2-(Bromomethyl)-1,3-dioxolan-2-yl]-N-(phenylmethyl)cyclopropanecarboxamide)
Formula: C15H18BrNO3
Molecular Weight: 340.21
Synonyms: 1-Benzylaminocarbonyl-1-(2-bromo-1,1-ethylenedioxyethyl)cyclopropane;
Density: 1.481 g/cm3
Boiling Point: 509.861 °C at 760 mmHg
Flash Point: 262.155 °C
PSA: 51.05000
LogP: 3.06130
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Specification

The 1-[2-(Bromomethyl)-1,3-dioxolan-2-yl]-N-(phenylmethyl)cyclopropanecarboxamide, with the CAS registry number 147011-41-4, has the molecular formula C15H18BrNO3. In addition, its formula weight is 340.21. What's more, its systematic name is called N-benzyl-1-[2-(bromomethyl)-1,3-dioxolan-2-yl]cyclopropanecarboxamide.

Physical properties of 1-[2-(Bromomethyl)-1,3-dioxolan-2-yl]-N-(phenylmethyl)cyclopropanecarboxamide: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.148; (6)ACD/BCF (pH 7.4): 19.148; (7)ACD/KOC (pH 5.5): 287.983; (8)ACD/KOC (pH 7.4): 287.983; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 78.449 cm3; (14)Molar Volume: 229.569 cm3; (15)Surface Tension: 54.869 dyne/cm; (16)Density: 1.482 g/cm3; (17)Flash Point: 262.155 °C; (18)Enthalpy of Vaporization: 78.049 kJ/mol; (19)Boiling Point: 509.861 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CNC(=O)C2(CC2)C3(OCCO3)CBr
(2)InChI: InChI=1/C15H18BrNO3/c16-11-15(19-8-9-20-15)14(6-7-14)13(18)17-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,18)
(3)InChIKey: VNUMTPUZSNRYPS-UHFFFAOYAF