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CAS No.: | 73728-79-7 |
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Name: | 2',3,5'-Trimethyl[1,1'-biphenyl]-4-amine |
Molecular Structure: | |
Formula: | C15H17N |
Molecular Weight: | 211.30 |
Synonyms: | 4-(2,5-dimethylphenyl)-2-methyl-aniline;3,2,5-Trimethylbiphenylamine;4-BIPHENYLAMINE, 3,2,5-TRIMETHYL-;3,2,5-Trimethyl-4-aminodiphenyl; |
Density: | 1.026 g/cm3 |
Boiling Point: | 319 °C at 760 mmHg |
Flash Point: | 149.9 °C |
PSA: | 26.02000 |
LogP: | 4.44220 |
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This chemical is called 3,2',5'-Trimethyl-4-aminodiphenyl, and its IUPAC name is 4-(2,5-dimethylphenyl)-2-methylaniline. With the molecular formula of C15H17N, its molecular weight is 211.30. The CAS registry number of this chemical is 73728-79-7, and its classification code is Tumor data.
Other characteristics of the 3,2',5'-Trimethyl-4-aminodiphenyl can be summarised as followings: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 797.12; (6)ACD/BCF (pH 7.4): 838.22; (7)ACD/KOC (pH 5.5): 4094.73; (8)ACD/KOC (pH 7.4): 4305.84; (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: 1.591; (14)Molar Refractivity: 69.55 cm3; (15)Molar Volume: 205.8 cm3; (16)Polarizability: 27.57×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.026 g/cm3; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 56.05 kJ/mol; (21)Boiling Point: 319 °C at 760 mmHg; (22)Vapour Pressure: 0.000349 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c2(c1ccc(N)c(c1)C)cc(ccc2C)C
2.InChI: InChI=1/C15H17N/c1-10-4-5-11(2)14(8-10)13-6-7-15(16)12(3)9-13/h4-9H,16H2,1-3H3
3.InChIKey: SKSNKNFLXPZBMD-UHFFFAOYAG