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CAS No.: | 539-15-1 |
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Name: | Hordenine |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C10H15NO |
Molecular Weight: | 165.235 |
Synonyms: | Eremursine(7CI);Phenol, p-[2-(dimethylamino)ethyl]- (8CI);Anhalin;Anhaline;Cactine;Hordenin;N,N-Dimethyl-4-hydroxy-b-phenethylamine;N,N-Dimethyl-p-hydroxyphenethylamine;N,N-Dimethyltyramine;Ordenina;Peyocactine;p-Hydroxy-N,N-dimethylphenethylamine;p-[2-(Dimethylamino)ethyl]phenol; |
EINECS: | 208-710-4 |
Density: | 1.026 g/cm3 |
Melting Point: | 117-118° |
Boiling Point: | 270.2 °C at 760 mmHg |
Flash Point: | 123.5 °C |
Appearance: | White crystal |
Hazard Symbols: | Xn |
Risk Codes: | 22-36-43 |
Safety: | 26-36/37 |
PSA: | 23.47000 |
LogP: | 1.49630 |
Conditions | Yield |
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With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate In methanol; water at 20℃; | 98% |
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 20h; methylation; | 93% |
With hydrogen; palladium on activated charcoal In methanol at 20℃; Methylation; | 93% |
With sodium tris(acetoxy)borohydride In methanol at 20℃; for 18h; | 70% |
Conditions | Yield |
---|---|
In methanol at 20℃; | 92% |
at 20℃; im Rohr; |
Conditions | Yield |
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With rhodium(III) chloride hydrate; potassium tert-butylate at 150℃; for 60h; Sealed tube; High pressure; | 76% |
With palladium 10% on activated carbon; potassium tert-butylate at 130℃; for 30h; |
Conditions | Yield |
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With hydrogen bromide at 120 - 130℃; | 71.54% |
Conditions | Yield |
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Stage #1: 4-methoxyphenethyl bromide; dimethyl amine In tetrahydrofuran at 20℃; for 18h; Stage #2: With water; boron tribromide In hexane; dichloromethane at 0℃; for 0.666667h; | 40% |
Conditions | Yield |
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With hydrogenchloride at 160℃; | |
With phosphorus; hydrogen bromide at 110℃; | |
With hydrogenchloride at 160℃; |
Conditions | Yield |
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With sulfuric acid durch Diazotieren; | |
beim Diazotieren und Verkochen; |
Conditions | Yield |
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bei der Destillation unter vermindertem Druck; |
Conditions | Yield |
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bei der Destillation unter vermindertem Druck; |
Product Name: 4-(2-Dimethylaminoethyl)phenol (CAS NO.539-15-1)
Molecular Formula: C10H15NO
Molecular Weight: 165.23g/mol
Mol File: 539-15-1.mol
EINECS: 208-710-4
Boiling point: 270.2 °C at 760 mmHg
Flash Point: 123.5 °C
Density: 1.026 g/cm3
Surface Tension: 39.7 dyne/cm
Enthalpy of Vaporization: 52.89 kJ/mol
Vapour Pressure: .00417 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 4-(2-Dimethylaminoethyl)phenol (CAS NO.539-15-1):
IUPAC Name: 4-(2-dimethylaminoethyl)phenol
Canonical SMILES: CN(C)CCC1=CC=C(C=C1)O
InChI: InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKey: KUBCEEMXQZUPDQ-UHFFFAOYSA-N
Product Categories: Miscellaneous Natural Products
4-(2-Dimethylaminoethyl)phenol , its CAS NO. is 539-15-1, the synonyms are Hordenine ; p-(2-Dimethylaminoethyl)phenol ; Phenol, p-[2-(dimethylamino)ethyl]- .