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| CAS No.: | 16589-24-5 |
|---|---|
| Name: | Synephrine tartrate |
| Molecular Structure: | |
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|
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| Formula: | 2(C9H13NO2).C4H6O6 |
| Molecular Weight: | 317.296 |
| Synonyms: | Benzenemethanol,4-hydroxy-R-[(methylamino)- methyl]-,(2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt);Oxedrine tartrate;Bis((beta,4-dihydroxyphenethyl)methylammonium) (R-(R*,R*))-tartrate; |
| EINECS: | 240-647-8 |
| Density: | 1.159 g/cm3 |
| Melting Point: | 188-190° (some dec) |
| Boiling Point: | 823.3 °C at 760 mmHg |
| Flash Point: | 451.7 °C |
| Solubility: | Soluble in water |
| Appearance: | COA |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 220.04000 |
| LogP: | -0.05080 |
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Chemistry
Molecular Structure of Sympathomim (CAS NO.16589-24-5):
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IUPAC Name: 2,3-dihydroxybutanedioic acid; 4-[1-hydroxy-2-(methylamino)ethyl]phenol
Molecular Formula: 2(C9H13NO2).C4H6O6
Molecular Weight: 484.50
CAS Registry Number: 16589-24-5
EINECS: 240-647-8
H bond acceptors: 12
H bond donors: 10
Freely Rotating Bonds: 15
Polar Surface Area: 220.04Å2
Flash Point: 451.7 °C
Enthalpy of Vaporization: 125.43 kJ/mol
Boiling Point: 823.3 °C at 760 mmHg
Vapour Pressure: 1.08E-28 mmHg at 25°C
InChI
InChI=1/C9H13NO2.C4H6O6/c1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
Smiles
Oc1ccc(cc1)[C@@H](O)CNC.C([C@@H](O)[C@@H](O)C(=O)O)(=O)O
Specification
Sympathomim , with CAS number of 16589-24-5, can be called Synephrine tartrate ; Simpadren ; Oxedrine tartrate ; benzenemethanol, 4-hydroxy-alpha-[(methylamino)methyl]-, 2,3-dihydroxybutanedioate (2:1) (salt) ; 4-[1-Hydroxy-2-(methylamino)ethyl]phenol 2,3-dihydroxysuccinate (2:1) .