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| CAS No.: | 88196-70-7 |
|---|---|
| Name: | (R)-1-(3-Methoxyphenyl)ethylamine |
| Article Data: | 60 |
| Molecular Structure: | |
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| Formula: | C9H13NO |
| Molecular Weight: | 151.208 |
| Synonyms: | Benzenemethanamine,3-methoxy-a-methyl-, (R)-;(R)-1-(3-Methoxyphenyl)ethanamine;(R)-1-(3-Methoxyphenyl)ethylamine;(R)-3-Methoxy-a-methylbenzylamine;(R)-m-Methoxy-a-phenethylamine;(1R)-1-(3-methoxyphenyl)ethanamine;benzenemethanamine, 3-methoxy-α-methyl-, (alphaR)-;1-(R)-(3-methoxyphenol)ethylamine;3[(1R)-1-Aminoethyl] phenol; |
| Density: | 1.003 g/cm3 |
| Melting Point: | 5℃ |
| Boiling Point: | 234.6 °C at 760 mmHg |
| Flash Point: | 94.7 °C |
| Solubility: | Soluble in water (10g/L at 20°C). |
| Hazard Symbols: | R21/22:Harmful in contact with skin and if swallowed.; R34:Causes burns.; |
| Risk Codes: | 21/22-34 |
| Safety: | 26-36/37/39 |
| Transport Information: | 2735 |
| PSA: | 35.25000 |
| LogP: | 2.41520 |
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Specification
The (R)-1-(3-Methoxyphenyl)ethylamine, with the CAS registry number 88196-70-7, has the systematic name of (1R)-1-(3-methoxyphenyl)ethanamine. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C9H13NO.
The characteristics of (R)-1-(3-Methoxyphenyl)ethylamine are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 46.01 cm3; (15)Molar Volume: 150.6 cm3; (16)Polarizability: 18.24×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.003 g/cm3; (19)Flash Point: 94.7 °C; (20)Enthalpy of Vaporization: 47.13 kJ/mol; (21)Boiling Point: 234.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0524 mmHg at 25°C.
Preparation of (R)-1-(3-Methoxyphenyl)ethylamine: This chemical can be prepared by 1-(3-methoxy-phenyl)-ethanone. The reaction will need reagent NH3 and H2, catalyst Ra-Ni, and the menstruum methanol. The reaction time is 5 hours with temperature of 110°C and pressure of 7500.6 Pa, and the yield is about 83%.
Uses of (R)-1-(3-Methoxyphenyl)ethylamine: It can react with phthalic acid anhydride to produce 2-[1-(3-methoxy-phenyl)-ethyl]-isoindole-1,3-dione. The yield of the reaction is about 69%.
You should be cautious while dealing with this chemical. It is harmful in contact with skin and if swallowed, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1cc(ccc1)[C@H](N)C)C
(2)InChI: InChI=1/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1
(3)InChIKey: CJWGCBRQAHCVHW-SSDOTTSWBT