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105907-65-1

Basic Information
CAS No.: 105907-65-1
Name: 1-(3,5-Dimethylphenyl)piperazine
Article Data: 2
Molecular Structure:
Molecular Structure of 105907-65-1 (1-(3,5-Dimethylphenyl)piperazine)
Formula: C12H18N2
Molecular Weight: 190.288
Synonyms: Piperazine,1-(3,5-xylyl)- (6CI);1-(3,5-Dimethylphenyl)piperazine;4-(3,5-Dimethylphenyl)piperazine;
Density: 0.999 g/cm3
Boiling Point: 339 °C at 760 mmHg
Flash Point: 156.6 °C
Appearance: Gray power
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 15.27000
LogP: 2.10680
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Specification

The Piperazine,1-(3,5-dimethylphenyl)-, with the CAS registry number 105907-65-1, is also known as 4-(3,5-Dimethylphenyl)piperazine. It belongs to the product category of Piperidine. This chemical's molecular formula is C12H18N2 and molecular weight is 190.28. What's more, its IUPAC name is 1-(3,5-dimethylphenyl)piperazine. 

Physical properties of Piperazine,1-(3,5-dimethylphenyl)- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 11.15; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 6.48 Å2; (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: 156.6 °C; (18)Enthalpy of Vaporization: 58.24 kJ/mol; (19)Boiling Point: 339 °C at 760 mmHg; (20)Vapour Pressure: 9.49E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1)N2CCNCC2)C
(2)InChI: InChI=1S/C12H18N2/c1-10-7-11(2)9-12(8-10)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3
(3)InChIKey: RBSSPJDOINFUCR-UHFFFAOYSA-N