CAS No.1012-91-5,1-(2,6-DIMETHYLPHENYL)PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1012-91-5
Name:	1-(2,6-DIMETHYLPHENYL)PIPERAZINE
Article Data:	4

Formula:	C₁₂H₁₈N₂
Molecular Weight:	190.288
Synonyms:	Piperazine,1-(2,6-xylyl)- (7CI,8CI);1-(2,6-Dimethylphenyl)piperazine;1-(2,6-Xylyl)piperazine;4-(2,6-Dimethylphenyl)piperazine;
EINECS:	213-791-4
Density:	0.999 g/cm³
Boiling Point:	315 °C at 760 mmHg
Flash Point:	138.3 °C
Appearance:	Gray power
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	15.27000
LogP:	2.10680

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Specification

The Piperazine,1-(2,6-dimethylphenyl)-, with the CAS registry number 1012-91-5, is also known as 1-(2,6-Dimethylphenyl)piperazine 97%. Its EINECS registry number is 213-791-4. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.28. Its systematic name is called 1-(2,6-dimethylphenyl)piperazine.

Physical properties of Piperazine,1-(2,6-dimethylphenyl)-: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 15.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.537; (13)Molar Refractivity: 59.45 cm³; (14)Molar Volume: 190.2 cm³; (15)Surface Tension: 35.8 dyne/cm; (16)Density: 0.999 g/cm³; (17)Flash Point: 138.3 °C; (18)Enthalpy of Vaporization: 55.62 kJ/mol; (19)Boiling Point: 315 °C at 760 mmHg; (20)Vapour Pressure: 0.000451 mmHg at 25°C.

Uses of Piperazine,1-(2,6-dimethylphenyl)-: it can be used to produce 1-{2-[4-(2,6-dimethyl-phenyl)-πperazin-1-yl]-2-oxo-ethyl}-pyrrolidin-2-one at temperature of 100 - 140 °C. This reaction will need reagent NaH with reaction time of 8 hours. The yield is about 38%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(c(cc1)C)N2CCNCC2)C
(2)InChI: InChI=1/C12H18N2/c1-10-4-3-5-11(2)12(10)14-8-6-13-7-9-14/h3-5,13H,6-9H2,1-2H3
(3)InChIKey: JDVUSTNITSGJOH-UHFFFAOYAL