N,N-DIALLYLANILINE

The Benzenamine,N,N-di-2-propen-1-yl-, with the CAS registry number 6247-00-3, is also known as N,N-Di(prop-2-en-1-yl)aniline. It belongs to the product category of Monomer. This chemical's molecular formula is C₁₂H₁₅N and molecular weight is 173.25. What's more, its systematic name is N,N-bis(prop-2-enyl)aniline.

Physical properties of Benzenamine,N,N-di-2-propen-1-yl- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 548.35; (6)ACD/BCF (pH 7.4): 558.63; (7)ACD/KOC (pH 5.5): 3161.55; (8)ACD/KOC (pH 7.4): 3220.82; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 58.54 cm³; (15)Molar Volume: 183.6 cm³; (16)Polarizability: 23.21×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 0.943 g/cm³; (19)Flash Point: 101.3 °C; (20)Enthalpy of Vaporization: 48.77 kJ/mol; (21)Boiling Point: 250.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0217 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-bromo-propene and aniline. This reaction will need reagent phenyllithium and solvent diethyl ether with the reaction time of 11 hours. The yield is about 81%.

Uses of Benzenamine,N,N-di-2-propen-1-yl-: it can be used to produce 3,4-dimethyl-1-phenyl-pyrrolidine at the ambient temperature. It will need reagent BuMgCl and solvent diethyl ether with the reaction time of 1 day. This reaction will also need catalyst Cp₂ZrCl₂. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCN(CC=C)C1=CC=CC=C1
(2)InChI: InChI=1S/C12H15N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
(3)InChIKey: CJIPLMHXHKPZGM-UHFFFAOYSA-N