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54035-94-8

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Basic Information
CAS No.: 54035-94-8
Name: 1-(2-Bromoethyl)-pyrrolidine
Article Data: 3
Molecular Structure:
Molecular Structure of 54035-94-8 (1-(2-Bromoethyl)-pyrrolidine)
Formula: C6H12BrN
Molecular Weight: 178.072
Synonyms: 1-(2-Bromoethyl)pyrrolidine;
Density: 1.364 g/cm3
Boiling Point: 188.215 °C at 760 mmHg
Flash Point: 67.63 °C
PSA: 3.24000
LogP: 1.41500
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Specification

The 1-(2-Bromoethyl)-pyrrolidine, with the CAS registry number 54035-94-8, is also known as Pyrrolidine, 1-(2-bromoethyl)-. This chemical's molecular formula is C6H12BrN and molecular weight is 178.0702. Its systematic name is called 1-(2-bromoethyl)pyrrolidine.

Physical properties of 1-(2-Bromoethyl)-pyrrolidine: (1)ACD/LogP: 1.69; (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; (6)#H bond acceptors: 1; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.51; (9)Molar Refractivity: 39.072 cm3; (10)Molar Volume: 130.533 cm3; (11)Surface Tension: 36.06 dyne/cm; (12)Density: 1.364 g/cm3; (13)Flash Point: 67.63 °C; (14)Enthalpy of Vaporization: 42.443 kJ/mol; (15)Boiling Point: 188.215 °C at 760 mmHg; (16)Vapour Pressure: 0.606 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCN1CCCC1
(2)InChI: InChI=1/C6H12BrN/c7-3-6-8-4-1-2-5-8/h1-6H2
(3)InChIKey: SAVGSSSLZPLNLG-UHFFFAOYAC