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Name |
4-(Diethylaminomethyl)-bromobenzene |
EINECS | N/A |
CAS No. | 4885-19-2 | Density | 1.241 g/cm3 |
PSA | 3.24000 | LogP | 3.29090 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H16BrN | Boiling Point | 264.837 °C at 760 mmHg |
Molecular Weight | 242.159 | Flash Point | 113.97 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4,5-Diiodo-1,2-dimethylimidazole; |
Article Data | 14 |
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