The 4-Phenoxybenzylamine, with the CAS registry number 107622-80-0, is also known as 4-Phenoxybenzenemethanamine. It belongs to the product category of Anilines, Aromatic Amines and Nitro Compounds. This chemical's molecular formula is C13H13NO and molecular weight is 199.25. What's more, its IUPAC name is (4-phenoxyphenyl)methanamine.
Physical properties of 4-Phenoxybenzylamine are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.49; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 12.99; (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: 1.594; (14)Molar Refractivity: 61.14 cm3; (15)Molar Volume: 180 cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.106 g/cm3; (18)Flash Point: 149.5 °C; (19)Enthalpy of Vaporization: 56.12 kJ/mol; (20)Boiling Point: 319.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000335 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CN
(2)InChI: InChI=1S/C13H13NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10,14H2
(3)InChIKey: CCAZAGUSBMVSAR-UHFFFAOYSA-N
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