Product Name

  • Name

    Propamidine

  • EINECS 203-195-2
  • CAS No. 104-32-5
  • Article Data10
  • CAS DataBase
  • Density 1.25 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H20N4O2
  • Boiling Point 497.3 °C at 760 mmHg
  • Molecular Weight 312.371
  • Flash Point 254.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 104-32-5 (Propamidine)
  • Hazard Symbols
  • Synonyms Benzamidine,4,4'-(trimethylenedioxy)di- (6CI,7CI,8CI);4,4'-(Trimethylenedioxy)dibenzamidine;B. 782;Propamidine;p,p'-(Trimethylenedioxy)dibenzamidine;
  • PSA 118.20000
  • LogP 3.70270

Synthetic route

1,3-bis(4-cyanophenoxy)propane
7476-06-4

1,3-bis(4-cyanophenoxy)propane

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
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
1,3-bis(4-cyanophenoxy)propane
7476-06-4

1,3-bis(4-cyanophenoxy)propane

ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
at 180 - 195℃;
1,3-bis(4-cyanophenoxy)propane
7476-06-4

1,3-bis(4-cyanophenoxy)propane

ammonium benzenesulfonate
19402-64-3

ammonium benzenesulfonate

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
at 260 - 270℃;
4,4'-propanediyldioxy-bis-benzimidic acid diethyl ester
1448-61-9

4,4'-propanediyldioxy-bis-benzimidic acid diethyl ester

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
With ethanol; ammonium chloride
C21H26N2O4*2ClH

C21H26N2O4*2ClH

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
With ammonia at 50℃; for 6h;
1.3-bis-<4-ethoxycarboximidoyl-phenoxy>-propane dihydrochloride

1.3-bis-<4-ethoxycarboximidoyl-phenoxy>-propane dihydrochloride

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
With ammonia
1.3-bis-<4-(N-phenyl-carbamimidoyl)-phenoxy>-propane-bis-benzenesulfonate

1.3-bis-<4-(N-phenyl-carbamimidoyl)-phenoxy>-propane-bis-benzenesulfonate

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
With ammonia; aniline at 100 - 110℃;
4-cyanophenol
767-00-0

4-cyanophenol

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
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
4-nitro-phenol
100-02-7

4-nitro-phenol

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
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
1-nitro-4-(3-(4-nitrophenoxy)propoxy)benzene
3722-79-0

1-nitro-4-(3-(4-nitrophenoxy)propoxy)benzene

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: aqueous sodium sulfide
2: ueber die Diazonium-Verbindung dargestellt
3: 180 - 195 °C
View Scheme
1,3-bis(4-aminophenoxy)propane
52980-20-8

1,3-bis(4-aminophenoxy)propane

propamidine
104-32-5

propamidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ueber die Diazonium-Verbindung dargestellt
2: 180 - 195 °C
View Scheme

Propamidine Specification

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

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