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N-(4-Bromophenyl)-3-pyridinemethanamine (84324-68-5)

Identification
Name:N-(4-Bromophenyl)-3-pyridinemethanamine
Synonyms:3-Pyridinemethanamine, N-(4-bromophenyl)-;
CAS:84324-68-5
Molecular Formula: C12H11BrN2
Molecular Weight: 263.13
InChI: InChI=1/C12H11BrN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
Molecular Structure: (C12H11BrN2) 3-Pyridinemethanamine, N-(4-bromophenyl)-;
Properties
Density:1.470
Refractive index:1.66
Specification:

The systematic name of N-(4-Bromophenyl)-3-pyridinemethanamine is 4-Bromo-N-(pyridin-3-ylmethyl)aniline. With the CAS registry number 84324-68-5, it is also named as 3-Pyridinemethanamine, N-(4-bromophenyl)-. In addition, its molecular formula is C12H11BrN2 and its molecular weight is 263.13. 

The other characteristics of N-(4-Bromophenyl)-3-pyridinemethanamine can be summarized as: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 2; (4)H bond donors: 1; (5)Freely Rotating Bonds: 3; (6)Polar Surface Area: 16.13 Å2; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 66.13 cm3; (9)Molar Volume: 178.9 cm3; (10)Polarizability: 26.21×10-24cm3; (11)Surface Tension: 52.9 dyne/cm; (12)Density: 1.47 g/cm3; (13)Flash Point: 183.9 °C; (14)Enthalpy of Vaporization: 62.86 kJ/mol; (15)Boiling Point: 380.4 °C at 760 mmHg; (16)Vapour Pressure: 5.45E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc2ccc(NCc1cccnc1)cc2
(2)InChI:InChI=1/C12H11BrN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
(3)InChIKey:ILYQEKJJMMIQJS-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C12H11BrN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
(5)Std. InChIKey:ILYQEKJJMMIQJS-UHFFFAOYSA-N

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