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| CAS No.: | 80058-84-0 |
|---|---|
| Name: | 4-BROMO-2,6-BIS(1-METHYLETHYL)BENZENAMINE |
| Article Data: | 44 |
| Molecular Structure: | |
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| Formula: | C12H18BrN |
| Molecular Weight: | 256.186 |
| Synonyms: | 4-bromo-2,6-bis(1-methylethyl)benzenamine; |
| Density: | 1.231 g/cm3 |
| Boiling Point: | 300.513 °C |
| Flash Point: | 135.546 °C |
| PSA: | 26.02000 |
| LogP: | 4.85930 |
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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