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CAS No.: | 104-32-5 |
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Name: | Propamidine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C17H20N4O2 |
Molecular Weight: | 312.371 |
Synonyms: | Benzamidine,4,4'-(trimethylenedioxy)di- (6CI,7CI,8CI);4,4'-(Trimethylenedioxy)dibenzamidine;B. 782;Propamidine;p,p'-(Trimethylenedioxy)dibenzamidine; |
EINECS: | 203-195-2 |
Density: | 1.25 g/cm3 |
Boiling Point: | 497.3 °C at 760 mmHg |
Flash Point: | 254.6 °C |
PSA: | 118.20000 |
LogP: | 3.70270 |
Conditions | Yield |
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With lithium hexamethyldisilazane In tetrahydrofuran at 20℃; | 89% |
Multi-step reaction with 2 steps 1: HCl (gas) / benzene / 72 h / Ambient temperature 2: ethanol. NH3 / 6 h / 50 °C View Scheme |
Conditions | Yield |
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at 180 - 195℃; |
Conditions | Yield |
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at 260 - 270℃; |
Conditions | Yield |
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With ethanol; ammonium chloride |
propamidine
Conditions | Yield |
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With ammonia at 50℃; for 6h; |
propamidine
Conditions | Yield |
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With ammonia |
propamidine
Conditions | Yield |
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With ammonia; aniline at 100 - 110℃; |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: 82 percent / ethanol. NaOEt / 48 h / Heating 2: HCl (gas) / benzene / 72 h / Ambient temperature 3: ethanol. NH3 / 6 h / 50 °C View Scheme | |
Multi-step reaction with 2 steps 1: potassium carbonate / acetonitrile / Reflux 2: lithium hexamethyldisilazane / tetrahydrofuran / 20 °C View Scheme |
Conditions | Yield |
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Multi-step reaction with 4 steps 1: ethanolic NaOH 2: aqueous sodium sulfide 3: ueber die Diazonium-Verbindung dargestellt 4: 180 - 195 °C View Scheme |
Conditions | Yield |
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Multi-step reaction with 3 steps 1: aqueous sodium sulfide 2: ueber die Diazonium-Verbindung dargestellt 3: 180 - 195 °C View Scheme |
The Propamidine, with the CAS registry number 104-32-5, is also known as 4,4'-(1,3-Propanediylbis(oxy))bisbenzenecarboximidamide. Its EINECS registry number is 203-195-2. This chemical's molecular formula is C17H20N4O2 and molecular weight is 312.37. What's more, its IUPAC name is 4-[3-(4-Carbamimidoylphenoxy)propoxy]benzenecarboximidamide and systematic name is called 4,4'-[Propane-1,3-diylbis(oxy)]dibenzenecarboximidamide. This chemical's classification codes are Anti-Infective Agents; Antiparasitic Agents and Antiprotozoal Agents. Propamidine is an antiseptic and disinfectant.
Physical properties about Propamidine are: (1) ACD/LogP: 1.62; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -1.38; (4) ACD/LogD (pH 7.4): -1.38; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 6; (10) #H bond donors: 6; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 49.66 Å2; (13) Index of Refraction: 1.608; (14) Molar Refractivity: 86.23 cm3; (15) Molar Volume: 249.3 cm3; (16) Surface Tension: 51.5 dyne/cm; (17) Density: 1.25 g/cm3; (18) Flash Point: 254.6 °C; (19) Enthalpy of Vaporization: 76.53 kJ/mol; (20) Boiling Point: 497.3 °C at 760 mmHg; (21) Vapour Pressure: 4.99E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C(=[N@H])N)CCCOc2ccc(C(=[N@H])N)cc2
(2) InChI: InChI=1/C17H20N4O2/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21)
(3) InChIKey: WTFXJFJYEJZMFO-UHFFFAOYAO