Piperazine,1-(3,5-dimethylphenyl)- supplier

Name
1-(3,5-Dimethylphenyl)piperazine
EINECS
CAS No. 105907-65-1
Article Data2
CAS DataBase
Density 0.999 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 339 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 156.6 °C
Transport Information
Appearance Gray power
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Piperazine,1-(3,5-xylyl)- (6CI);1-(3,5-Dimethylphenyl)piperazine;4-(3,5-Dimethylphenyl)piperazine;
PSA 15.27000
LogP 2.10680

Piperazine,1-(3,5-dimethylphenyl)- 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

Product Name

1-(3,5-Dimethylphenyl)piperazine

Piperazine,1-(3,5-dimethylphenyl)- Specification

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