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Benzenamine,N,N-di-2-propen-1-yl-

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Name

Benzenamine,N,N-di-2-propen-1-yl-

EINECS N/A
CAS No. 6247-00-3 Density 0.943 g/cm3
PSA 3.24000 LogP 2.86500
Solubility N/A Melting Point N/A
Formula C12H15N Boiling Point 250.4 °C at 760 mmHg
Molecular Weight 173.258 Flash Point 101.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 6247-00-3 (N,N-DIALLYLANILINE) Hazard Symbols N/A
Synonyms

Aniline,N,N-diallyl- (6CI,7CI,8CI);Benzenamine, N,N-di-2-propenyl- (9CI);2-Propen-1-amine, N-phenyl-N-2-propenyl-;Diallyl(phenyl)amine;N,N-Di-2-propenylbenzenamine;N,N-Diallylaniline;N,N-Dipropen-3-ylaniline;NSC59842;N,N-Di(prop-2-en-1-yl)aniline;

Article Data 80

Benzenamine,N,N-di-2-propen-1-yl- Specification

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%.

Benzenamine,N,N-di-2-propen-1-yl- can be prepared by 3-bromo-propene and aniline

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%.

Benzenamine,N,N-di-2-propen-1-yl- can be used to produce 3,4-dimethyl-1-phenyl-pyrrolidine at the ambient temperature

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

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