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1097826-42-0

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Basic Information
CAS No.: 1097826-42-0
Name: 1-(3-Bromophenyl)cyclopentylamine
Molecular Structure:
Molecular Structure of 1097826-42-0 (1-(3-Bromophenyl)cyclopentylamine)
Formula: C11H14BrN
Molecular Weight: 240.143
Synonyms: Cyclopentanamine, 1-(3-bromophenyl)-;
Density: 1.371 g/cm3
Boiling Point: 309.4 °C at 760 mmHg
Flash Point: 140.9 °C
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Specification

This product is an organic compound with the formula C11H14BrN. The systematic name of this chemical is 1-(3-Bromophenyl)cyclopentylamine. With the CAS registry number 1097826-42-0, it is also named as Cyclopentanamine, 1-(3-bromophenyl)-. In addition, the molecular weight is 240.14.

Physical properties of 1-(3-Bromophenyl)cyclopentylamine are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 9.47; (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: 140.9 °C; (20)Enthalpy of Vaporization: 55.01 kJ/mol; (21)Boiling Point: 309.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000642 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)Br)C2(CCCC2)N
(2)InChI: InChI=1S/C11H14BrN/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,13H2
(3)InChIKey: LOLPDEFCBXDDEC-UHFFFAOYSA-N