Quinine hydrochloride dihydrate
Catalog No: FT-0605109
CAS No: 6119-47-7
- Molecular Formula: 396.9
- Formula Weight: C20H29ClN2O4
- Inchl Key: MPQKYZPYCSTMEI-FLZPLBAKSA-N
- Inchl: InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20+;;;/m0.../s1
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Danger |
|---|---|
| FW: | 396.908 |
| Density: | N/A |
| CAS: | 6119-47-7 |
| Bolling_Point: | 633ºC at 760 mmHg |
| Product_Name: | Quinine Hydrochloride Dihydrate |
| Melting_Point: | 115-116 °C (dec.)(lit.) |
| Flash_Point: | 122 °C |
| MF: | C20H29ClN2O4 |
| Molecular_Structure: | ['1 . Molar refractive index 9578 ', '2 . Molar volume （m3/mol）2663 ', '3 . Parachor （902K）7287 ', '4 . Surface tension 560 ', '5 . Polarizability （10 -24cm 3）3797'] |
|---|---|
| LogP: | 3.78450 |
| Flash_Point: | 122 °C |
| Refractive_Index: | -250 ° (C=2, EtOH) |
| FW: | 396.908 |
| Bolling_Point: | 633ºC at 760 mmHg |
| Computational_Chemistry: | ['1 . Hydrogen Bond Donor Count 4 ', '2 . Hydrogen Bond Acceptor Count 6 ', '3 . Rotatable Bond Count 4 ', '4 . TPSA 476 ', '5 . Heavy Atom Count 27 ', '6 . Topological Polar Surface Area 0 ', '7 . Complexity 457 ', '8 . Isotope Atom Count 0 ', '9 . Defined Atom Stereocenter Count 1 ', '10 . Undefined Atom Stereocenter Count 3 ', '11 . Defined Bond Stereocenter Count 0 ', '12 . Undefined Bond Stereocenter Count 0 ', '13 . Covalently-Bonded Unit Count 4'] |
| Melting_Point: | 115-116 °C (dec.)(lit.) |
| PSA: | 64.05000 |
| MF: | C20H29ClN2O4 |
| More_Info: | ['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）115-116 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,14mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）122 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow'] |
| Exact_Mass: | 396.181580 |
| Hazard_Codes: | Xn: Harmful; |
|---|---|
| Symbol: | Danger |
| Warning_Statement: | P261-P280-P342 + P311 |
| HS_Code: | 29392000 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| RTECS: | VA7700000 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| Safety_Statements: | S22-S36/37-S45-S36/37/39-S26 |
| RIDADR: | 1544 |
| WGK_Germany: | 3 |
