(R)-3-Amino-3-phenylpropan-1-ol

The (R)-3-Amino-3-phenylpropan-1-ol, with the CAS registry number 170564-98-4, has the systematic name and IUPAC name of (3R)-3-amino-3-phenylpropan-1-ol. It is a kind of pale yellow or almost white viscous liquid, and the molecular formula of this chemical is C₉H₁₃NO.

The physical properties of (R)-3-Amino-3-phenylpropan-1-ol are as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.42; (4)ACD/LogD (pH 7.4): -1.22; (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: 1.56; (14)Molar Refractivity: 45.5 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 18.04×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.074 g/cm³; (19)Flash Point: 131 °C; (20)Enthalpy of Vaporization: 56.24 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.000809 mmHg at 25°C.

Preparation: This chemical can be prepared by 3-amino-3-phenyl-propionic acid. The reaction will need reagents NaBH₄ and cc. H₂SO₄, and the solvents tetrahydrofuran and diethyl ether. It is a kind of reduction reaction, and need the temperature of 0-20°C. And the yield is about 16%.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: OCC[C@@H](N)c1ccccc1
(2)InChI: InChI=1/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1
(3)InChIKey: SEQXIQNPMQTBGN-SECBINFHBY