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CAS No.: | 769944-79-8 |
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Name: | 4-(4'-BROMOPHENYL)PIPERIDINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C11H15BrClN |
Molecular Weight: | 276.604 |
Synonyms: | Piperidine,4-(4-bromophenyl)-, hydrochloride (9CI);4-(4-Bromophenyl)piperidinehydrochloride;4-(4-Bromo-phenyl)piperidine HCl;4-(4-bromophenyl)piperidine hydrochloride; |
EINECS: | 672-425-5 |
Boiling Point: | 340.5 °C at 760 mmHg |
Flash Point: | 159.7 °C |
PSA: | 12.03000 |
LogP: | 4.04690 |
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The Piperidine,4-(4-bromophenyl)-, hydrochloride (1:1), with the CAS registry number 769944-79-8, has the systematic name of 4-(4-bromophenyl)piperidine hydrochloride. It is also called 4-(4-Bromo-phenyl)piperidine HCl. And the molecular formula of this chemical is C11H15BrClN.
The physical properties of Piperidine,4-(4-bromophenyl)-, hydrochloride (1:1) are as following: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.25; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 12.03 Å2; (9)Flash Point: 159.7 °C; (10)Enthalpy of Vaporization: 59.56 kJ/mol; (11)Boiling Point: 340.5 °C at 760 mmHg; (12)Vapour Pressure: 6.1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Brc1ccc(cc1)C2CCNCC2
(2)InChI: InChI=1/C11H14BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
(3)InChIKey: FCMJVILUJPTBAH-UHFFFAOYAC