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CAS No.: | 102137-46-2 |
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Name: | 4-(Pyridin-2-ylmethoxy)aniline |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H12N2O |
Molecular Weight: | 200.24 |
Synonyms: | 4-(pyridin-2-ylmethoxy)aniline;Albb-005559;4-(pyridin-2-ylmethoxy)aniline(SALTDATA: FREE);4-(Pyridine-2ylMethoxy)aniline |
Density: | 1.18 g/cm3 |
Boiling Point: | 369.5 °C at 760 mmHg |
Flash Point: | 177.3 °C |
PSA: | 48.14000 |
LogP: | 2.82400 |
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The 4-(Pyridin-2-ylmethoxy)aniline, with the CAS registry number 102137-46-2, is also named as Benzenamine, 4-(2-pyridinylmethoxy)-. Its molecular formula is C12H12N2O and its molecular weight is 200.236480.
Other characteristics of the 4-(Pyridin-2-ylmethoxy)aniline can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.09; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 53.84; (8)ACD/KOC (pH 7.4): 73.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 59.74 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 23.68×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 177.3 °C; (20)Enthalpy of Vaporization: 61.63 kJ/mol; (21)Boiling Point: 369.5 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(N)cc1)Cc2ncccc2
2.InChI: InChI=1/C12H12N2O/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11/h1-8H,9,13H2
3.InChIKey: CGWMMQFGQVDRII-UHFFFAOYAL