2-Phenoxyethylamine

The Ethanamine, 2-phenoxy-, with CAS registry number 1758-46-9, belongs to the following product categories: (1)Amines; (2)C8; (3)Nitrogen Compounds. It has the systematic name of 2-phenoxyethanamine. This chemical is a kind of clear colorless to light yellow liquid. And its classification code is Drug / Therapeutic Agent.

Physical properties of Ethanamine, 2-phenoxy-: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): 0.05; (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): 10.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 41.09 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 16.29×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 46.69 kJ/mol; (19)Vapour Pressure: 0.0665 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-phenoxy-acetamide. This reaction will  need reagent BH₃^.Me₂S and solvent bis-(2-methoxy-ethyl) ether. The reaction time is 18 hour(s) with reaction temperature of 90 ℃. The yield is about 59%.

Uses of Ethanamine, 2-phenoxy-: it can be used to produce 3-(2-phenoxy-ethylimino)-3H-isobenzofuran-1-one. This reaction will need reagent triethylamine and solvent benzene. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
The Ethanamine, 2-phenoxy- may cause burns. And this chemical also irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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 the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)CCN
(2)InChI: InChI=1/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
(3)InChIKey: IMLAIXAZMVDRGA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
(5)Std. InChIKey: IMLAIXAZMVDRGA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	intravenous	95mg/kg (95mg/kg)	AUTONOMIC NERVOUS SYSTEM: CENTRAL SYMPATHOLYTIC VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	"Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 172, 1948.