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CAS No.: | 1094341-13-5 |
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Name: | 1-(4-Bromophenyl)cyclopentanamine |
Molecular Structure: | |
Formula: | C11H14BrN |
Molecular Weight: | 239.03 |
Synonyms: | Cyclopentanamine, 1-(4-bromophenyl)-; |
Density: | 1.371 g/cm3 |
Boiling Point: | 299 °C at 760 mmHg |
Flash Point: | 134.6 °C |
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The 1-(4-Bromophenyl)cyclopentanamine, with the CAS registry number 1094341-13-5, is also known as Cyclopentanamine, 1-(4-bromophenyl)-. This chemical's molecular formula is C11H14BrN and molecular weight is 239.03. What's more, its systematic name is called 1-(4-Bromophenyl)cyclopentanamine.
Physical properties about 1-(4-Bromophenyl)cyclopentanamine are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.21; (8)ACD/KOC (pH 7.4): 7.42; (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)Surface Tension: 46.9 dyne/cm; (17)Density: 1.371 g/cm3; (18)Flash Point: 134.6 °C; (19)Enthalpy of Vaporization: 53.89 kJ/mol; (20)Boiling Point: 299 °C at 760 mmHg; (21)Vapour Pressure: 0.00123 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1C2(CCCC2)N)Br
(2) InChI: InChI=1S/C11H14BrN/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6H,1-2,7-8,13H2
(3) InChIKey: KANRSDUCSFJYII-UHFFFAOYSA-N