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| CAS No.: | 94-07-5 |
|---|---|
| Name: | Synephrine |
| Molecular Structure: | |
|
|
|
| Formula: | C9H13NO2 |
| Molecular Weight: | 167.208 |
| Synonyms: | Benzylalcohol, p-hydroxy-a-[(methylamino)methyl]-(8CI);1-(4-Hydroxyphenyl)-2-(methylamino)ethanol;1-(4-Hydroxyphenyl)-N-methylethanolamine;1-Hydroxy-4-[(1-hydroxy-2-methylamino)ethyl]benzene;Analeptin;DL-Synephrine;Ethaphene;N-[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]-N-methylamine;NSC 166285;NSC 170956;Oxedrine;S 38537-9;Simpalon; |
| EINECS: | 202-300-9 |
| Density: | 1.159 g/cm3 |
| Melting Point: | 187 °C (dec.)(lit.) |
| Boiling Point: | 341.1 °C at 760 mmHg |
| Flash Point: | 163.4 °C |
| Solubility: | N/A |
| Appearance: | off-white to beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | N/A |
| PSA: | 52.49000 |
| LogP: | 1.03590 |
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Chemistry
IUPAC Name: 4-[1-Hydroxy-2-(methylamino)ethyl]phenol
Molecular Formula: C9H13NO2
Molecular Weight: 167.21 g/mol
Molecular structure of Synephrine (CAS NO.94-07-5):
EINECS: 202-300-9
Melting Point: 187 °C (dec.)(lit.)
Storage Temp.: 2-8 °C
Index of Refraction: 1.571
Molar Refractivity: 47.44 cm3
Molar Volume: 144.2 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.159 g/cm3
Flash Point: 163.4 °C
Enthalpy of Vaporization: 61.71 kJ/mol
Boiling Point: 341.1 °C at 760 mmHg
Vapour Pressure: 3.18E-05 mmHg at 25 °C
XLogP3: -0.6
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 167.094629
MonoIsotopic Mass: 167.094629
Topological Polar Surface Area: 52.5
Heavy Atom Count: 12
Canonical SMILES: CNCC(C1=CC=C(C=C1)O)O
InChI: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
InChIKey: YRCWQPVGYLYSOX-UHFFFAOYSA-N
Product Categories: All Inhibitors; Reduce Weight; Herbs & Natural Remedies; Natural Plant Extract; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals
Uses
Synephrine (CAS NO.94-07-5) is mainly used as a-adrenoceptor agonist and vasoconstrictor drug. It is also a drug commonly used for weight loss.
Toxicity Data With Reference
| 1. | scu-rat LDLo:1500 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 101 (1955),81. | ||
| 2. | ipr-mus LD50:1000 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 89 (1947),297. | ||
| 3. | ivn-mus LD50:270 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 106 (1952),341. | ||
| 4. | ivn-rbt LDLo:150 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 101 (1955),81. |
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: DO7350000
Poison by intravenous route. Moderately toxic by subcutaneous and intraperitoneal routes. Used as an adrenergic agent and vasopressor. When heated to decomposition it emits toxic fumes such as NOx.
Specification
Synephrine (CAS NO.94-07-5) is also named as (-)-N-Methyloctopamine ; 1-(4-Hydroxyphenyl)-2-methylaminoethanol ; 1-(4-Hydroxyphenyl)-N-methylethanolamine ; 4-Hydroxy-alpha-((methylamino)methyl)benzenemethanol ; Analeptin ; DL-Synephrine ; Ethaphene ; Methylaminomethyl(4-hydroxyphenyl)carbinol ; NSC 166285 ; NSC 170956 ; Oxedrine ; Parakorper ; Parakorper [German] ; Parasympatol ; Pentedrin ; Pentedrin [German] ; S 38537-9 ; alpha-(4-Oxyphenyl)alpha-oxy-beta-methylaminoaethan ; alpha-(4-Oxyphenyl)alpha-oxy-beta-methylaminoaethan [German] ; beta-Methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol ; p-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol ; p-Hydroxyphenylmethylaminoethanol ; p-Methylaminoethanolphenol ; p-Oxedrine ; p-Synephrine ; ( -)-N-Methyloctopamine ; 1-(4-Hydroxyphenyl)-2-methylaminoethanol ; alpha-(4-Oxyphenyl)alpha-oxy-beta-methylaminoaethan ; alpha-(4-Oxyphenyl)alpha-oxy-beta-methylaminoaethan [German] ; beta-Methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol ; p-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol ; p-Hydroxyphenylmethylaminoethanol ; p-Methylaminoethanolphenol ; p-Oxedrine
p-Synephrine . Synephrine (CAS NO.94-07-5) is off-white to beige powder. It is soluble in water, insoluble in ether, almost insoluble in chloroform, ether.
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