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| CAS No.: | 219492-12-3 |
|---|---|
| Name: | 3-(BENZYLOXY)-4-METHYLPHENYLAMINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C14H15NO |
| Molecular Weight: | 213.279 |
| Synonyms: | 3-(Benzyloxy)-4-methylaniline; |
| Density: | 1.106g/cm3 |
| Boiling Point: | 369.3 °C at 760 mmHg |
| Flash Point: | 184.1 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 35.25000 |
| LogP: | 3.73740 |
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- Total:17 Page 1 of 1 1
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Specification
The Benzenamine,4-methyl-3-(phenylmethoxy)-, with CAS registry number 219492-12-3, has the systematic name of 3-(benzyloxy)-4-methylaniline. Besides this, it is also called 3-(Benzyloxy)-4-methylphenylamine. And the chemical formula of this chemical is C14H15NO.
Physical properties of Benzenamine,4-methyl-3-(phenylmethoxy)-: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 91.22; (6)ACD/BCF (pH 7.4): 102.63; (7)ACD/KOC (pH 5.5): 850.92; (8)ACD/KOC (pH 7.4): 957.4; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 66.47 cm3; (15)Molar Volume: 192.6 cm3; (16)Polarizability: 26.35×10-24cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 184.1 °C; (20)Enthalpy of Vaporization: 61.6 kJ/mol; (21)Boiling Point: 369.3 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(ccc1C)N)Cc2ccccc2
(2)InChI: InChI=1/C14H15NO/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
(3)InChIKey: TZWRMTAIHRIAFC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C14H15NO/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
(5)Std. InChIKey: TZWRMTAIHRIAFC-UHFFFAOYSA-N