Hordenine (62493-39-4)

The Hordenine, with the cas registry number 62493-39-4, has the systematic name of 4-[2-(dimethylamino)ethyl]phenol. Its product category belongs to Plant Biotechnology, and the molecular formula of the chemical is C₁₀H₁₅NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -0.61; (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): 1.35; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 50.67 cm³; (15)Molar Volume: 160.9 cm³; (16)Polarizability: 20.08×10^-24cm³; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.026 g/cm³; (19)Flash Point: 123.5 °C; (20)Enthalpy of Vaporization: 52.89 kJ/mol; (21)Boiling Point: 270.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00417 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(cc1)CCN(C)C
(2)InChI: InChI=1/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
(3)InChIKey: KUBCEEMXQZUPDQ-UHFFFAOYAA 

The toxicity data is as follows: