CAS No.84468-53-1,2-ISOPROPYL-PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84468-53-1
Name:	2-ISOPROPYL-PIPERAZINE
Article Data:	12

Formula:	C₇H₁₆N₂
Molecular Weight:	128.2153
Synonyms:	2-Isopropylpiperazine;133181-64-3 [RN];
Density:	0.851 g/cm³
Boiling Point:	184.1 °C at 760 mmHg
Flash Point:	64.6 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	24.06000
LogP:	2.46540

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Specification

The Piperazine, 2-(1-methylethyl)-, with CAS registry number of 84468-53-1, is also known as 2-Isopropylpiperazine. Its systematic name is 2-(propan-2-yl)piperazine. Its molecular formula is C₇H₁₆N₂, and its molecular weight is 128.2153.

Physical properties about Piperazine, 2-(1-methylethyl)- are: (1) ACD/LogP: 0.20; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -3.05; (4) ACD/LogD (pH 7.4): -2.16; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) # H bond acceptors: 2; (10) # H bond donors: 2; (11) # Freely Rotating Bonds: 1; (12) Polar Surface Area: 6.48 Å²; (13) Index of Refraction: 1.431; (14) Molar Refractivity: 39 cm³; (15) Molar Volume: 150.6 cm³; (16) Polarizability: 15.46×10^-24 cm³; (17) Surface Tension: 23.9 dyne/cm; (18) Density: 0.851 g/cm³; (19) Flash Point: 64.6 °C; (20) Enthalpy of Vaporization: 42.04 kJ/mol; (21) Boiling Point: 184.1 °C at 760 mmHg; (22) Vapour Pressure: 0.745 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: N1CC(NCC1)C(C)C
(2) InChI: InChI=1/C7H16N2/c1-6(2)7-5-8-3-4-9-7/h6-9H,3-5H2,1-2H3
(3) InChIKey: HBCSNWKQNPKIHK-UHFFFAOYAV