DL-alpha-Methylbenzylamine

The Benzenemethanamine, α-methyl-, with the CAS registry number of 618-36-0, is also known as α-Methylbenzylamine. Its EINECS registry number is 210-545-8. This chemical's molecular formula is C₈H₁₁N and molecular weight is 121.18. What's more, it is a monoamine compound. Individual enantiomers of this basic compound are useful for performing chiral resolution of acidic compounds by forming diastereomeric salts. In addition, it can absorb Carbon dioxide from the air. Hence, it must be stored in airtight containers under an inert atmosphere and placed in a dry, cool place. And it should avoid contact with strong oxidizing agents, Carbon dioxide.

Physical properties about Benzenemethanamine, α-methyl- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.083; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.75; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.02 Å²; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 39.34 cm³; (14)Molar Volume: 126.677 cm³; (15)Polarizability: 15.596×10^-24 cm³; (16)Surface Tension: 36.595 dyne/cm; (17)Density: 0.957 g/cm³; (18)Flash Point: 75.803 °C; (19)Enthalpy of Vaporization: 41.925 kJ/mol; (20)Boiling Point: 183.007 °C at 760 mmHg; (21)Vapour Pressure: 0.788 mmHg at 25 °C; (22)Melting Point: -65 °C.

Preparation: this chemical is prepared by 1-Phenyl-ethanone oxime. This reaction needs reagents TiCl₄ and NaBH₄. Meanwhile, it needs solvent 1, 2-Dimethoxy-ethane. Other condition of this reaction is reaction time of 14 hours at ambient temperature. The yield is about 86 %.

Uses: (1)it can be used as intermediates of medicine, dyestuff, spices, emulsifier, etc. (2)it is used to produce other chemicals. For example, it is used to produce N-(1-Phenyl-ethyl)-phthalimide. The reaction time is 4 hours with reaction temperature of 140 °C. The yield is about 66 %.

When you are using this chemical, please be cautious about it as the following:
irritating to eyes, respiratory system and skin. In addition, this chemical may cause burns on contact. During using 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. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(c1ccccc1)N
(2) InChI: InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
(3) InChIKey: RQEUFEKYXDPUSK-UHFFFAOYAS