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CAS No.: | 6298-96-0 |
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Name: | 1-(4-METHOXY-PHENYL)-ETHYLAMINE |
Article Data: | 103 |
Molecular Structure: | |
Formula: | C9H13NO |
Molecular Weight: | 151.208 |
Synonyms: | p-Methoxy-a-phenylethylamine;a-(p-Methoxyphenyl)ethylamine;a-Methyl-4-methoxybenzenemethanamine;a-Methyl-p-methoxybenzylamine;Benzylamine,p-methoxy-a-methyl- (6CI,7CI,8CI);(?à)-p-Methoxy-a-methylbenzylamine;(?à)-1-(4-Methoxyphenyl)ethylamine;(?à)-p-Methoxy-a-phenylethylamine;(?à)-a-(p-Methoxyphenyl)ethylamine;1-(4-Methoxyphenyl)ethylamine;1-(p-Methoxyphenyl)ethylamine;NSC 42442;p-Methoxy-a-methylbenzylamine;1-(4-methoxyphenyl)ethanamine; |
Density: | 1.003 g/cm3 |
Boiling Point: | 240.3 °C at 760 mmHg |
Flash Point: | 99.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-34 |
Safety: | 26-36/37/39-45 |
PSA: | 35.25000 |
LogP: | 2.41520 |
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The Benzenemethanamine,4-methoxy-a-methyl- with CAS registry number of 6298-96-0 is also called 1-(4-Methoxyphenyl)ethanamine. It belongs to categories of Aminomethyl's; Phenyls & Phenyl-Het. Its IUPAC name is 1-(4-Methoxyphenyl)ethanamine.
Physical properties about this chemical are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 12.47 Å2; (7) Index of Refraction: 1.522; (8) Molar Refractivity: 46.01 cm3; (9) Molar Volume: 150.6 cm3; (10) Polarizability: 18.24×10-24 cm3; (11) Surface Tension: 35.6 dyne/cm; (12) Density: 1.003 g/cm3; (13) Flash Point: 99.3 °C; (14) Enthalpy of Vaporization: 47.72 kJ/mol; (15) Boiling Point: 240.3 °C at 760 mmHg; (16) Vapour Pressure: 0.0383 mmHg at 25°C.
Preparation of Benzenemethanamine,4-methoxy-a-methyl-: this chemical is prepared by 1-(4-methoxy-phenyl)-ethanone oxime.
This reaction needs reagent sodium and ethanol.
Uses of Benzenemethanamine,4-methoxy-a-methyl-: it can react with (5-nitro-indol-3-yl)-oxo-acetyl chloride to give N-[1-(4-methoxy-phenyl)-ethyl]-2-(5-nitro-1H-indol-3-yl)-2-oxo-acetamide.
This reaction needs reagent Et3N and solvent toluene at temperature of 20 °C. The yield is 79%.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)C(N)C)C;
(2) InChI: InChI=1/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3;
(3) InChIKey: JTDGKQNNPKXKII-UHFFFAOYAU;
(4) Std. InChI: InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3;
(5) Std. InChIKey: JTDGKQNNPKXKII-UHFFFAOYSA-N