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Benzenamine,4-bromo-2,6-bis(1-methylethyl)-

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Name

Benzenamine,4-bromo-2,6-bis(1-methylethyl)-

EINECS N/A
CAS No. 80058-84-0 Density 1.231 g/cm3
PSA 26.02000 LogP 4.85930
Solubility N/A Melting Point N/A
Formula C12H18BrN Boiling Point 300.513 °C
Molecular Weight 256.186 Flash Point 135.546 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 80058-84-0 (4-BROMO-2,6-BIS(1-METHYLETHYL)BENZENAMINE) Hazard Symbols N/A
Synonyms

4-bromo-2,6-bis(1-methylethyl)benzenamine;

Article Data 44

Benzenamine,4-bromo-2,6-bis(1-methylethyl)- Specification

The Benzenamine, 4-bromo-2, 6-bis(1-methylethyl)-, with the CAS registry number 80058-84-0, is also known as 4-Bromo-2,6-bis(1-methylethyl)benzenamine. This chemical's molecular formula is C12H18BrN. What's more, its systematic name is 4-Bromo-2,6-bis(1-methylethyl)aniline.

Physical properties about Benzenamine,4-bromo-2,6-bis(1-methylethyl)- are: (1)ACD/LogP: 5.49; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.02 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 66.549 cm3; (9)Molar Volume: 208.043 cm3;  (10)Surface Tension: 37.169 dyne/cm; (11)Density: 1.231 g/cm3; (12)Flash Point: 135.546 °C; (13)Enthalpy of Vaporization: 54.059 kJ/mol; (14)Boiling Point: 300.513 °C at 760 mmHg; (15)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(c(c1)C(C)C)N)C(C)C
(2)InChI: InChI=1/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
(3)InChIKey: QAQRHTYPYQPBSX-UHFFFAOYAA 

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