64-04-0

Reported in EPA TSCA Inventory.

The Phenethylamine, with the CAS registry number 64-04-0,is also known as 2-Phenylethylamine; 3-Aminoethylbenzene. It belongs to the product categories of Amines;Bioactive Small Molecules;Building Blocks. This chemical's molecular formula is C8H11N and molecular weight is 121.18. Its EINECS number is 200-574-4.What's more,Its systematic name is Phenethylamine.It is a colourless or slightly yellow liquid which is stable,combustible,incompatible with strong oxidizing agents,strong acids.And it is used as an intermediate for phenformin,also for other organic synthesis.

Physical properties about Phenethylamine are:
(1)ACD/LogP:  1.458; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -1.62; (4)ACD/LogD (pH 7.4):  -0.95; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  1; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  3; (12)Index of Refraction:  1.537; (13)Molar Refractivity:  39.337 cm3; (14)Molar Volume:  125.928 cm3; (15)Surface Tension:  38.1199989318848 dyne/cm; (16)Density:  0.962 g/cm3; (17)Flash Point:  90.556 °C; (18)Enthalpy of Vaporization:  43.265 kJ/mol; (19)Boiling Point:  196.455 °C at 760 mmHg; (20)Vapour Pressure:  0.398000001907349 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c1ccc(cc1)CCN;
(2)Std. InChI:InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2;
(3)Std. InChIKey:BHHGXPLMPWCGHP-UHFFFAOYSA-N.

Safety Information of Phenethylamine:
The Phenethylamine is harmful if swallowed .It may causes burns .In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .When you use it wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data of Phenethylamine are as follows: