N,N-Dibenzylethanolamine

The Ethanol,2-[bis(phenylmethyl)amino]-, with CAS registry number 101-06-4, has the systematic name of 2-(dibenzylamino)ethanol. And its IUPAC name is the same one. The main use of this chemical is the intermediate of Nicardipine. What's more, its EINECS is 202-911-0.

Physical properties of Ethanol,2-[bis(phenylmethyl)amino]-: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 12.94; (6)ACD/BCF (pH 7.4): 290.95; (7)ACD/KOC (pH 5.5): 81.81; (8)ACD/KOC (pH 7.4): 1838.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 74.81 cm³; (15)Molar Volume: 220.7 cm³; (16)Polarizability: 29.65×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Enthalpy of Vaporization: 64.54 kJ/mol; (19)Vapour Pressure: 5.55E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by dibenzylamine and 2-bromo-ethanol. The reaction time is 72 hour(s) with reaction temperature of 80 ℃. The yield is about 85%.

Uses of Ethanol,2-[bis(phenylmethyl)amino]-: it can be used to produce 2-(dibenzyl-oxy-amino)-ethanol. This reaction will need reagent H₂O₂. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The Ethanol,2-[bis(phenylmethyl)amino]- 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.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(Cc1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
(3)InChIKey: WTTWSMJHJFNCQB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
(5)Std. InChIKey: WTTWSMJHJFNCQB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	3400mg/kg (3400mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	National Technical Information Service. Vol. OTS0534870,