CAS No.120635-25-8,Mofegiline hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120635-25-8
Name:	Mofegiline hydrochloride
Article Data:	2

Formula:	C₁₁H₁₃F₂N.ClH
Molecular Weight:	233.689
Synonyms:	Benzenebutanamine,4-fluoro-b-(fluoromethylene)-,hydrochloride, (E)-;Benzenebutanamine, 4-fluoro-b-(fluoromethylene)-, hydrochloride, (bE)- (9CI);(E)-2-(Fluoromethylene)-4-(4-fluorophenyl)butylamine hydrochloride;(E)-4-Fluoro-b-(fluoromethylene)benzenebutanaminehydrochloride;MDL 72974A;Mofegiline hydrochloride;
Melting Point:	131°
Boiling Point:	288.6 °C at 760 mmHg
Flash Point:	165.3 °C
PSA:	26.02000
LogP:	4.07270

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Specification

The Benzenebutanamine,4-fluoro-b-(fluoromethylene)-,hydrochloride (1:1), (bE)-, with its CAS registry number 120635-25-8, has the systematic name of (2Z)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine hydrochloride (1:1). With its molecular foumula of C₁₁H₁₄ClF₂N, it has the formula weight of 233.688. Besides, its product categories are including Antiparkinsonian.

The characteristics of Benzenebutanamine,4-fluoro-b-(fluoromethylene)-,hydrochloride (1:1), (bE)- are as follows: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 46; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.02; (13)Flash Point: 149 °C; (14)Enthalpy of Vaporization: 57.58 kJ/mol; (15)Boiling Point: 322.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0002 mmHg at 25°C; (17)Exact Mass: 233.078284; (18)MonoIsotopic Mass: 233.078284; (19)Topological Polar Surface Area: 26; (20)Heavy Atom Count: 15; (21)Complexity: 184; (22)Defined Bond StereoCenter Count: 1; (23)Covalently-Bonded Unit Count: 2.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Cl.Fc1ccc(CC\C(CN)=C\F)cc1
(2)InChI:InChI=1/C11H13F2N.ClH/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9;/h3-7H,1-2,8,14H2;1H/b10-7-;
(3)InChIKey:QUCNNQHLIHGBIA-VEZAGKLZBU
(4)Std. InChI:InChI=1S/C11H13F2N.ClH/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9;/h3-7H,1-2,8,14H2;1H/b10-7-;
(5)Std. InChIKey:QUCNNQHLIHGBIA-VEZAGKLZSA-N