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869901-04-2

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Basic Information
CAS No.: 869901-04-2
Name: 2-(bromomethyl)-6-pyrrolidin-1-ylpyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 869901-04-2 (2-(bromomethyl)-6-pyrrolidin-1-ylpyridine)
Formula: C10H13BrN2
Molecular Weight: 241.131
Synonyms: 2-(bromomethyl)-6-pyrrolidin-1-ylpyridine;2-(Bromomethyl)-6-pyrrolidin-1-ylpyridine 97%;1-[6-(Bromomethyl)pyridin-2-yl]pyrrolidine
Density: 1.446g/cm3
Melting Point: 69 °C
Boiling Point: 347.2 °C at 760 mmHg
Flash Point: 163.8 °C
Hazard Symbols: CorrosiveC
PSA: 16.13000
LogP: 2.64170
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Specification

The Pyridine,2-(bromomethyl)-6-(1-pyrrolidinyl)-, with CAS registry number 869901-04-2, has the systematic name of 2-(bromomethyl)-6-pyrrolidin-1-yl-pyridine. Its molecular weight is 241.12762. And the chemical formula of this chemical is C10H13BrN2.

Physical properties of Pyridine,2-(bromomethyl)-6-(1-pyrrolidinyl)-: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2.2; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 16.13 Å2; (9)Index of Refraction: 1.602; (10)Molar Refractivity: 57.19 cm3; (11)Molar Volume: 166.6 cm3; (12)Polarizability: 22.67×10-24cm3; (13)Surface Tension: 51.9 dyne/cm; (14)Density: 1.446 g/cm3; (15)Flash Point: 163.8 °C; (16)Enthalpy of Vaporization: 59.14 kJ/mol; (17)Boiling Point: 347.2 °C at 760 mmHg; (18)Vapour Pressure: 5.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1)N2CCCC2)CBr
(2)InChI: InChI=1/C10H13BrN2/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13/h3-5H,1-2,6-8H2
(3)InChIKey: UFXKRINLXMWRES-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H13BrN2/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13/h3-5H,1-2,6-8H2
(5)Std. InChIKey: UFXKRINLXMWRES-UHFFFAOYSA-N