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CAS No.: | 73728-78-6 |
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Name: | 2',3,4',6'-Tetramethyl[1,1'-biphenyl]-4-amine |
Molecular Structure: | |
Formula: | C16H19N |
Molecular Weight: | 225.334 |
Synonyms: | 3,2,4,6-Tetramethylaminodiphenyl;4-BIPHENYLAMINE, 3,2,4,6-TETRAMETHYL-;3,2,4,6-Tetramethylbiphenylamine;2-methyl-4-(2,4,6-trimethylphenyl)aniline; |
Density: | 1.014 g/cm3 |
Melting Point: | 71-73 °C |
Boiling Point: | 324.4 °C at 760 mmHg |
Flash Point: | 151 °C |
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This chemical is called 3,2',4',6'-Tetramethylaminodiphenyl, and its systematic name is 2',3,4',6'-tetramethylbiphenyl-4-amine. With the molecular formula of C16H19N, its molecular weight is 225.33. The CAS registry number of this chemical is 73728-78-6, and its classification code is Tumor data.
Other characteristics of the 3,2',4',6'-Tetramethylaminodiphenyl can be summarised as followings: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1764.63; (6)ACD/BCF (pH 7.4): 1874.8; (7)ACD/KOC (pH 5.5): 7210.72; (8)ACD/KOC (pH 7.4): 7660.89; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 74.38 cm3; (15)Molar Volume: 222 cm3; (16)Polarizability: 29.48×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.014 g/cm3; (19)Flash Point: 151 °C; (20)Enthalpy of Vaporization: 56.64 kJ/mol; (21)Boiling Point: 324.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000246 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c2(c1ccc(N)c(c1)C)c(cc(cc2C)C)C
2.InChI: InChI=1/C16H19N/c1-10-7-12(3)16(13(4)8-10)14-5-6-15(17)11(2)9-14/h5-9H,17H2,1-4H3
3.InChIKey: MLJRKHLRKYVASA-UHFFFAOYAM