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4885-19-2

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Basic Information
CAS No.: 4885-19-2
Name: 4-(Diethylaminomethyl)-bromobenzene
Article Data: 14
Molecular Structure:
Molecular Structure of 4885-19-2 (4-(Diethylaminomethyl)-bromobenzene)
Formula: C11H16BrN
Molecular Weight: 242.159
Synonyms: 4,5-Diiodo-1,2-dimethylimidazole;
Density: 1.241 g/cm3
Boiling Point: 264.837 °C at 760 mmHg
Flash Point: 113.97 °C
PSA: 3.24000
LogP: 3.29090
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Specification

The CAS registry number of 4-(Diethylaminomethyl)-bromobenzene is 4885-19-2, is also known as 4,5-Diiodo-1,2-dimethylimidazole. This chemical's molecular formula is C11H16BrN and molecular weight is 242.16. What's more, its systematic name is N-(4-Bromobenzyl)-N-ethylethanamine.

Physical properties about 4-(Diethylaminomethyl)-bromobenzene: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 61.112 cm3; (15)Molar Volume: 195.209 cm3; (16)Surface Tension: 36.376 dyne/cm; (17)Density: 1.241 g/cm3; (18)Flash Point: 113.97 °C; (19)Enthalpy of Vaporization: 50.274 kJ/mol; (20)Boiling Point: 264.837 °C at 760 mmHg; (21)Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(CN(CC)CC)cc1
(2) InChI: InChI=1/C11H16BrN/c1-3-13(4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
(3) InChIKey: SXEJQBLAVTUYPB-UHFFFAOYAP