103-86-6

The Phenol,4-(2-aminopropyl)-, with the CAS registry number 10199-50-5, is also known as D-4-Hydroxyamphetamine. Its EINECS number is 203-152-8. This chemical's molecular formula is C₉H₁₃NO and molecular weight is 151.21. What's more, its systematic name is 4-(2-aminopropyl)phenol. 

Physical properties of Phenol,4-(2-aminopropyl)- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -1.56; (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: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 45.81 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 18.16×10^-24 cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 53.87 kJ/mol; (21)Boiling Point: 279.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0024 mmHg at 25°C.

Preparation: this chemical can be prepared by p-Hydroxy-norephedrin-HCl at the ambient temperature and at the pressure of 3900.3. This reaction will need reagent H₂ and solvents H₂O, acetic acid, HClO₄ with the reaction time of 14.5 hours. This reaction will also need catalyst 9.8percent Pd/C. The yield is about 68%.

Uses of Phenol,4-(2-aminopropyl)-: it can be used to produce N-Acetyl-p-hydroxyamphetamin at the ambient temperature. It will need solvent ethyl acetate with the reaction time of 30 min. The yield is about 91%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc1ccc(cc1)CC(N)C
(2)InChI: InChI=1/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
(3)InChIKey: GIKNHHRFLCDOEU-UHFFFAOYAW

The toxicity data is as follows: