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Name |
3-Pyridinemethanamine,N-[(3-bromophenyl)methyl]- |
EINECS | N/A |
CAS No. | 436096-90-1 | Density | 1.377 g/cm3 |
PSA | 24.92000 | LogP | 3.52480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H13BrN2 | Boiling Point | 383.1 °C at 760 mmHg |
Molecular Weight | 277.1597 | Flash Point | 185.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(3-Bromobenzyl)pyridin-3-yl methylamine; |
The 3-Pyridinemethanamine,N-[(3-bromophenyl)methyl]-, with the CAS registry number 436096-90-1, is also known as (3-Bromobenzyl)pyridin-3-yl methylamine. This chemical's molecular formula is C13H13BrN2 and molecular weight is 277.1597. What's more, its systematic name is called 1-(3-Bromophenyl)-N-(pyridin-3-ylmethyl)methanamine.
Physical properties about 3-Pyridinemethanamine,N-[(3-bromophenyl)methyl]- are: (1)ACD/LogP: 2.70; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 16.13 Å2; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 69.66 cm3; (9)Molar Volume: 201.1 cm3; (10)Polarizability: 27.61×10-24 cm3; (11)Surface Tension: 47.6 dyne/cm; (12)Density: 1.377 g/cm3; (13)Flash Point: 185.5 °C; (14)Enthalpy of Vaporization: 63.16 kJ/mol; (15)Boiling Point: 383.1 °C at 760 mmHg; (16)Vapour Pressure: 4.51E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccc(c1)CNCc2cccnc2
(2) InChI: InChI=1/C13H13BrN2/c14-13-5-1-3-11(7-13)8-16-10-12-4-2-6-15-9-12/h1-7,9,16H,8,10H2
(3) InChIKey: LCAPOFSYBHMXQD-UHFFFAOYAK