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CAS No.: | 294647-97-5 |
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Name: | OTAVA-BB 1364598 |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H12N2 |
Molecular Weight: | 184.241 |
Synonyms: | 4-(2-Pyridinyl)-benzenemethanamine;OTAVA-BB 1364598;(4-(pyridin-2-yl)phenyl)methanamine; |
Density: | 1.097 g/cm3 |
Boiling Point: | 346.9 °C at 760 mmHg |
Flash Point: | 184.3 °C |
PSA: | 38.91000 |
LogP: | 2.90760 |
The CAS register number of Benzenemethanamine, 4-(2-pyridinyl)- is 294647-97-5. It also can be called as 4-(2-Pyridinyl)-benzenemethanamine and the systematic name about this chemical is 1-(4-pyridin-3-ylphenyl)methanamine. The molecular formula about this chemical is C12H12N2 and the molecular weight is 184.241.
Physical properties about Benzenemethanamine, 4-(2-pyridinyl)- are: (1)ACD/LogP: 1.53; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 4.72; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 16.13 Å2; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 57.38 cm3; (12)Molar Volume: 167.9 cm3; (13)Polarizability: 22.75x10-24cm3; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.097 g/cm3; (16)Flash Point: 184.3 °C; (17)Enthalpy of Vaporization: 59.11 kJ/mol; (18)Boiling Point: 346.9 °C at 760 mmHg; (19)Vapour Pressure: 5.58E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2cccc(c1ccc(cc1)CN)c2
(2)InChI: InChI=1/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
(3)InChIKey: FUHDBJVMRRGFTR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
(5)Std. InChIKey: FUHDBJVMRRGFTR-UHFFFAOYSA-N