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| CAS No.: | 90274-24-1 |
|---|---|
| Name: | Ractopamine hydrochloride |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C18H24ClNO3 |
| Molecular Weight: | 337.846 |
| Synonyms: | Benzenemethanol, 4-hydroxy-α-[[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, hydrochloride (9CI);EL 737;LY 031537;Optaflexx;Paylean;Ractopamine hydrochloride;Topmax 9; |
| EINECS: | 415-170-5 |
| Melting Point: | 165-167 °C |
| Boiling Point: | 542.3 °C at 760 mmHg |
| Flash Point: | 281.8 °C |
| Appearance: | White to almost white Crystalline powder |
| Hazard Symbols: | R20/22:; R43:; |
| Risk Codes: | 20/22-43 |
| Safety: | 24-26-37 |
| PSA: | 72.72000 |
| LogP: | 3.93500 |
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Chemistry
Molecule structure of Benzenemethanol, 4-hydroxy-alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, hydrochloride (CAS NO.90274-24-1):
IUPAC Name: 4-[3-[[2-Hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol hydrochloride
Molecular Weight: 337.84106 g/mol
Molecular Formula: C18H24ClNO3
Melting Point: 165-167 °C
Boiling Point: 542.3 °C at 760 mmHg
Flash Point: 281.8 °C
Enthalpy of Vaporization: 86.35 kJ/mol
Vapour Pressure: 1.36E-12 mmHg at 25 °C
Storage Temp.: 0-6 °C
H-Bond Donor: 5
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 337.144471
MonoIsotopic Mass: 337.144471
Topological Polar Surface Area: 72.7
Heavy Atom Count: 23
Complexity: 297
Canonical SMILES: CC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O.Cl
InChI: InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H
InChIKey: JHGSLSLUFMZUMK-UHFFFAOYSA-N
EINECS of Benzenemethanol, 4-hydroxy-alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, hydrochloride (CAS NO.90274-24-1): 415-170-5
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/22-43
R20/22:Harmful by inhalation and if swallowed.
R43:May cause sensitization by skin contact.
Safety Statements: 24-26-37
S24:Avoid contact with skin.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37:Wear suitable gloves.
Specification
Benzenemethanol, 4-hydroxy-alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, hydrochloride (CAS NO.90274-24-1) is also named as (+-)-all-rac-p-Hydroxy-alpha-(((3-(p-hydroxyphenyl)-1-methylpropyl)amino)methyl)benzyl alcohol, hydrochloride ; (+/-)-all-rac-p-Hydroxy-alpha-(((3-(p-hydroxyphenyl)-1-methylpropyl)amino)methyl)benzyl alcohol, hydrochloride ; El737 ; LYO31537 ; Ractopamine HCl ; Ractopamine hydrochloride ; UNII-309G9J93TP .