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1176042-51-5

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Basic Information
CAS No.: 1176042-51-5
Name: 1-(2-Bromophenyl)cyclopentanamine
Molecular Structure:
Molecular Structure of 1176042-51-5 (1-(2-Bromophenyl)cyclopentanamine)
Formula: C11H14BrN
Molecular Weight: 240.14
Synonyms: Cyclopentanamine, 1-(2-bromophenyl)-;
Density: 1.371 g/cm3
Boiling Point: 308.5 °C at 760 mmHg
Flash Point: 140.4 °C
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Specification

This product is an organic compound with the formula C11H14BrN. The systematic name of this chemical is 1-(2-Bromophenyl)cyclopentanamine. With the CAS registry number 1176042-51-5, it is also named as Cyclopentanamine, 1-(2-bromophenyl)-. In addition, the molecular weight is 240.14.

Physical properties of 1-(2-Bromophenyl)cyclopentanamine are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.65; (7)ACD/KOC (pH 5.5): 1.28; (8)ACD/KOC (pH 7.4): 13.15; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 58.65 cm3; (15)Molar Volume: 175 cm3; (16)Polarizability: 23.25×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.371 g/cm3; (19)Flash Point: 140.4 °C; (20)Enthalpy of Vaporization: 54.92 kJ/mol; (21)Boiling Point: 308.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000679 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)C2(CCCC2)N)Br
(2)InChI: InChI=1S/C11H14BrN/c12-10-6-2-1-5-9(10)11(13)7-3-4-8-11/h1-2,5-6H,3-4,7-8,13H2
(3)InChIKey: BJKHIOWMERKSSJ-UHFFFAOYSA-N