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| CAS No.: | 51179-05-6 |
|---|---|
| Name: | 2-(4-Benzyloxy-phenyl)-ethylamine |
| Molecular Structure: | |
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| Formula: | C15H17NO |
| Molecular Weight: | 227.306 |
| Synonyms: | RARECHEM AL BW 1365;4-Benzyloxyphenethylamine; |
| EINECS: | 200-589-5 |
| Density: | 1.079 g/cm3 |
| Boiling Point: | 370.5 °C at 760 mmHg |
| Flash Point: | 179.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 35.25000 |
| LogP: | 3.46710 |
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Specification
The CAS register number of 2-(4-Benzyloxy-phenyl)-ethylamine is 51179-05-6. It also can be called as 4-Benzyloxyphenethylamine. The molecular formula about this chemical is C15H17NO and the molecular weight is 227.3. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-(4-Benzyloxy-phenyl)-ethylamine are: (1)ACD/LogP: 3.03; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 12.47 Å2; (6)Index of Refraction: 1.584; (7)Molar Refractivity: 70.5 cm3; (8)Molar Volume: 210.6 cm3; (9)Polarizability: 27.94x10-24cm3; (10)Surface Tension: 43.7 dyne/cm; (11)Density: 1.079 g/cm3; (12)Flash Point: 179.6 °C; (13)Enthalpy of Vaporization: 61.74 kJ/mol; (14)Boiling Point: 370.5 °C at 760 mmHg; (15)Vapour Pressure: 1.1E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CCN)Cc2ccccc2
(2)InChI: InChI=1/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2
(3)InChIKey: MKKMZZXGIORPMU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2
(5)Std. InChIKey: MKKMZZXGIORPMU-UHFFFAOYSA-N