DL-PHENYLALANINOL

The Benzenepropanol, beta-amino-, with the CAS registry number of 16088-07-6, is also known as Benzylethanolamine. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C₉H₁₃NO and molecular weight is 151.21. What's more, its IUPAC name is 2-Amino-3-phenylpropan-1-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place. It can inhibit intestinal absorption of phenylalanine.

Physical properties about the Benzenepropanol, beta-amino- are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.25; (4)ACD/LogD (pH 7.4): -1.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 45.46 cm³; (15)Molar Volume: 140.3 cm³; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.077 g/cm³; (18)Flash Point: 137.5 °C; (19)Enthalpy of Vaporization: 57.46 kJ/mol; (20)Boiling Point: 303.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0004 mmHg at 25 °C.

Preparation: this chemical is prepared by D-β-Phenyl-α-alanine. The reaction needs reagent BH₃-Me₂S and solvent Tetrahydrofuran. The yield is about 79.1 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-(1-Benzyl-2-hydroxyethyl)-pyrrolidin. This reaction needs reagent Na₂CO₃. Meanwhile, it needs solvent Propan-1-ol. The yield is about 80 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause burns. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1) SMILES: OCC(N)Cc1ccccc1
(2) InChI: InChI=1/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
(3) InChIKey: STVVMTBJNDTZBF-UHFFFAOYAF