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CAS No.: | 210963-93-2 |
---|---|
Name: | 5-BROMO-2-(PYRROLIDIN-1-YL)PYRIDINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H11BrN2 |
Molecular Weight: | 227.104 |
Synonyms: | 5-Bromo-2-(pyrrolidin-1-yl)pyridine; |
Density: | 1.481 g/cm3 |
Boiling Point: | 318.335 °C at 760 mmHg |
Flash Point: | 146.324 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 16.13000 |
LogP: | 2.50930 |
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The 5-Bromo-2-(pyrrolidin-1-yl)pyridine is an organic compound with the formula C9H11BrN2. The IUPAC name of this chemical is 5-bromo-2-pyrrolidin-1-ylpyridine. With the CAS registry number 210963-93-2, it is also named as Pyridine, 5-bromo-2-(1-pyrrolidinyl)-.
Physical properties about 5-Bromo-2-(pyrrolidin-1-yl)pyridine are: (1)ACD/LogP: 3.14; (2)ACD/LogD (pH 5.5): 3.069; (3)ACD/LogD (pH 7.4): 3.134; (4)ACD/BCF (pH 5.5): 122.047; (5)ACD/BCF (pH 7.4): 141.756; (6)ACD/KOC (pH 5.5): 1038.517; (7)ACD/KOC (pH 7.4): 1206.223; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10) Polar Surface Area: 16.13 Å2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 52.239 cm3; (13)Molar Volume: 153.372 cm3; (14)Polarizability: 20.709×10-24cm3; (15)Surface Tension: 49.75 dyne/cm; (16)Density: 1.481 g/cm3; (17)Flash Point: 146.324 °C; (18)Enthalpy of Vaporization: 55.982 kJ/mol; (19)Boiling Point: 318.335 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ncc1Br)N2CCCC2
(2)InChI: InChI=1/C9H11BrN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
(3)InChIKey: MEVCTGBLQDZPFZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11BrN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
(5)Std. InChIKey: MEVCTGBLQDZPFZ-UHFFFAOYSA-N