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CAS No.: | 125067-75-6 |
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Name: | 3-(3-FLUOROPHENYL)PYRROLIDINE |
Molecular Structure: | |
Formula: | C10H12FN |
Molecular Weight: | 165.21 |
Synonyms: | 3-(3-Fluorophenyl)pyrrolidine;3-(m-Fluorophenyl)pyrrolidine; |
Density: | 1.078 g/cm3 |
Boiling Point: | 238.5 °C at 760 mmHg |
Flash Point: | 98 °C |
Appearance: | white to beige crystals or crystalline powder |
PSA: | 12.03000 |
LogP: | 2.23140 |
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The 3-(3-Fluorophenyl)pyrrolidine with the cas number 125067-75-6 is also called Pyrrolidine, 3-(3-fluorophenyl)-. The molecular formula of this chemical is C10H12FN. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 46.23 cm3; (13)Molar Volume: 153.1 cm3; (14)Polarizability: 18.32×10-24cm3; (15)Surface Tension: 35.3 dyne/cm; (16)Enthalpy of Vaporization: 47.53 kJ/mol ; (17)Vapour Pressure: 0.0423 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(c1)C2CCNC2
(2)InChI: InChI=1/C10H12FN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2
(3)InChIKey: RQGYSXVZGVZRPG-UHFFFAOYAF