CAS No.255051-14-0,4-(2-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	255051-14-0
Name:	4-(2-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE HYDROCHLORIDE
Article Data:	6

Formula:	C₁₂H₁₅ClF₃N
Molecular Weight:	265.706
Synonyms:	Piperidine,4-[2-(trifluoromethyl)phenyl]-, hydrochloride (9CI);4-(2-Trifluoromethylphenyl)piperidinehydrochloride;
Boiling Point:	305.1 °C at 760 mmHg
Flash Point:	138.3 °C
Risk Codes:	36
Safety:	26
PSA:	12.03000
LogP:	4.30320

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Specification

This chemical is called Piperidine, 4-[2-(trifluoromethyl)phenyl]-, hydrochloride (1:1), and its systematic name is 4-[2-(trifluoromethyl)phenyl]piperidine hydrochloride (1:1). With the molecular formula of C₁₂H₁₅ClF₃N, its molecular weight is 265.70. The CAS registry number of this chemical is 255051-14-0.

Other characteristics of the Piperidine, 4-[2-(trifluoromethyl)phenyl]-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.03 Å²; (12)Flash Point: 138.3 °C; (13)Enthalpy of Vaporization: 55.64 kJ/mol; (14)Boiling Point: 305.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000626 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.FC(F)(F)c1ccccc1C2CCNCC2
2.InChI: InChI=1/C12H14F3N.ClH/c13-12(14,15)11-4-2-1-3-10(11)9-5-7-16-8-6-9;/h1-4,9,16H,5-8H2;1H
3.InChIKey: BZYIRYKJNSACFP-UHFFFAOYAW