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CAS No.: | 34911-55-2 |
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Name: | Bupropion |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C13H18ClNO |
Molecular Weight: | 239.745 |
Synonyms: | -dimethylethyl)amino)-1-(3-chlorophenyl)-2-(((+-)-1-propanon;alpha-(tert-butylamino)-m-chloropropiophenone;Amfebutamon;Amfebutamone;Bupropion SR;Elontril;a-(tert-Butylamino)-m-chloropropiophenone; |
Density: | 1.066 g/cm3 |
Melting Point: | 233-234 °C |
Boiling Point: | 334.8 °C at 760 mmHg |
Flash Point: | 156.3 °C |
Solubility: | ethanol: 193 mg/mL |
Appearance: | solid light yellow oil |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36 |
PSA: | 29.10000 |
LogP: | 3.69020 |
This chemical is called Bupropion, and its systematic name is 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one. With the molecular formula of C13H18ClNO, its product category is APIs. The CAS registry number is 34911-55-2. Additionally, Bupropion decomposes extremely easily. It should be stored with dry inert gas and away from the Methyl Alcohol, Ethyl Alcohol, Acetone, Ether, Benzene.
Other characteristics of the Bupropion can be summarised as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogP: 3.47; (4)# of Rule of 5 Violations: 0; (5)ACD/LogD (pH 5.5): 1.82; (6)ACD/LogD (pH 7.4): 3.27; (7)ACD/BCF (pH 5.5): 5.68; (8)ACD/BCF (pH 7.4): 162.02; (9)ACD/KOC (pH 5.5): 40.92; (10)ACD/KOC (pH 7.4): 1167.88; (11)#H bond acceptors: 2; (12)#H bond donors: 1; (13)#Freely Rotating Bonds: 4; (14)Polar Surface Area: 20.31 Å2; (15)Index of Refraction: 1.515; (16)Molar Refractivity: 67.85 cm3; (17)Molar Volume: 224.6 cm3; (18)Polarizability: 26.9×10-24cm3; (19)Surface Tension: 35.3 dyne/cm; (20)Density: 1.066 g/cm3; (21)Flash Point: 156.3 ºC; (22)Enthalpy of Vaporization: 57.78 kJ/mol; (23)Boiling Point: 334.8 ºC at 760 mmHg; (24)Vapour Pressure: 0.000125 mmHg at 25 ºC.
Production method of this chemical: This chemical could be obtained by the material of Benzene, acetone, butylamine hydrochloride.
Uses of this chemical: Bupropion is a new form anti-despondent medicine, has the keto-amine structure, and it has not related with three links, four link and smonoaminoxidase inhibitor or other standard medicines in chemistry. Bupropion is an atypical antidepressant and smoking cessation aid and it is one of few antidepressants that does not cause sexual dysfunction. Also Bupropion was found to be effective for adult ADHD(attention-deficit hyperactivity disorder) and it lowers the level of an inflammatory mediator TNF-alpha and may be useful in autoinflammatory conditions such as Crohn's disease and psoriasis. In addition, Bupropion, similarly to other antidepressants, is not efficacious in chronic low back pain. However, it has been found to have surprisingly high efficacy in the treatment of neuropathic pain.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic or harmful if swallowed, so you should wear suitable protective clothing when you use it. Do not breathe vapour.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cc(Cl)ccc1)C(NC(C)(C)C)C
2.InChI: InChI=1/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
3.InChIKey: SNPPWIUOZRMYNY-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
5.Std. InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N