2-CYCLOHEXYLAMINO-1-PHENYLETHANOL

The Benzenemethanol, α-[(cyclohexylamino)methyl]-, with the CAS registry number 6589-48-6, is also known as Benzylalcohol, a-[(cyclohexylamino)methyl]-. Its EINECS registry number is 229-523-4. This chemical's molecular formula is C₁₄H₂₁NO and molecular weight is 219.32. What's more, its IUPAC name is 2-(Cyclohexylamino)-1-phenylethanol.

Physical properties about Benzenemethanol, α-[(cyclohexylamino)methyl]- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): 0.45; (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): 3.71; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 66.89 cm³; (15)Molar Volume: 209.1 cm³; (16)Polarizability: 26.51×10^-24 cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 61.98 kJ/mol; (21)Boiling Point: 343.4 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-05 mmHg at 25 °C.

Preparation of Benzenemethanol, α-[(cyclohexylamino)methyl]-: this chemical is prepared by reaction of C₁₄H₁₇NO at ambient temperature. The reaction needs reagent NaBH₄ and solvent Methanol. The reaction time is 30 minutes and the yield is about 68 %.

Uses of Benzenemethanol, α-[(cyclohexylamino)methyl]-: it is used to produce other chemicals. For example, it is used to produce 1-Cyclohexyl-2-phenyl-aziridine at ambient temperature. The reaction needs reagent P₂I₄ and solvent Benzene. The reaction time is 20 hours and the yield is about 58 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(c1ccccc1)CNC2CCCCC2
(2) InChI: InChI=1/C14H21NO/c16-14(12-7-3-1-4-8-12)11-15-13-9-5-2-6-10-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2
(3) InChIKey: ISYFTHDLBGNHQW-UHFFFAOYAJ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	30mg/kg (30mg/kg)		Journal of Medicinal Chemistry. Vol. 15, Pg. 445, 1972.