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Piperazine, 2-(1-methylethyl)-

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Name

Piperazine, 2-(1-methylethyl)-

EINECS N/A
CAS No. 84468-53-1 Density 0.851 g/cm3
PSA 24.06000 LogP 2.46540
Solubility N/A Melting Point N/A
Formula C7H16N2 Boiling Point 184.1 °C at 760 mmHg
Molecular Weight 128.2153 Flash Point 64.6 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 84468-53-1 (2-ISOPROPYL-PIPERAZINE) Hazard Symbols Xi
Synonyms

2-Isopropylpiperazine;133181-64-3 [RN];

Article Data 12

Piperazine, 2-(1-methylethyl)- 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

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