CAS No.84484-78-6,1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84484-78-6
Name:	1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride

Formula:	C₁₅H₂₂ClN^.HCl
Molecular Weight:	288.26
Synonyms:	Cyclobutanemethanamine,1-(4-chlorophenyl)-a-(2-methylpropyl)-, hydrochloride (9CI);1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride;BTS 54-505;[1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutan-1-yl]amine hydrochloride;
Boiling Point:	337.9 °C at 760 mmHg
Flash Point:	195.1 °C
PSA:	26.02000
LogP:	5.63740

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Specification

The CAS register number of Didesmethylsibutramine hydrochloride is 84484-78-6. It also can be called as Cyclobutanemethanamine,1-(4-chlorophenyl)-a-(2-methylpropyl)-, hydrochloride (1:1) and the IUPAC name about this chemical is 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine hydrochloride. The molecular formula about this chemical is C₁₅H₂₂ClN^.HCl and the molecular weight is 288.26. This chemical is a metabolite of sibutramine.

Physical properties about Didesmethylsibutramine hydrochloride are: (1)ACD/LogP: 4.70; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 1.76; (5)ACD/BCF (pH 7.4): 2.59; (6)ACD/KOC (pH 5.5): 6.88; (7)ACD/KOC (pH 7.4): 10.11; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 3.24Å²; (12)Flash Point: 195.1 °C; (13)Enthalpy of Vaporization: 58.12 kJ/mol; (14)Boiling Point: 337.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccc(cc1)C2(C(N)CC(C)C)CCC2
(2)InChI: InChI=1/C15H22ClN.ClH/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11,14H,3,8-10,17H2,1-2H3;1H
(3)InChIKey: KHRVYINTXCWNRF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H22ClN.ClH/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12;/h4-7,11,14H,3,8-10,17H2,1-2H3;1H
(5)Std. InChIKey: KHRVYINTXCWNRF-UHFFFAOYSA-N