Piperazine,1-[2-(1H-imidazol-1-yl)ethyl]- supplier

Name
1-(2-IMIDAZOL-1-YL-ETHYL)-PIPERAZINE
EINECS
CAS No. 381721-55-7
Density 1.19 g/cm³
Solubility
Melting Point
Formula C₉H₁₆N₄
Boiling Point 372.1 °C at 760 mmHg
Molecular Weight 180.253
Flash Point 178.8 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 1-[2-(Imidazol-1-yl)ethyl]piperazine;4-[2-(1H-Imidazol-1-yl)ethyl]piperazine;
PSA 33.09000
LogP 0.05500

Piperazine,1-[2-(1H-imidazol-1-yl)ethyl]- Specification

The Piperazine,1-[2-(1H-imidazol-1-yl)ethyl]-, with CAS registry number 381721-55-7, belongs to the following product categories: (1)Piperidine; (2)Piperazines. It has the systematic name of 1-[2-(1H-imidazol-1-yl)ethyl]piperazine. And the chemical formula of this chemical is C₉H₁₆N₄.

Physical properties of Piperazine,1-[2-(1H-imidazol-1-yl)ethyl]-: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.96; (4)ACD/LogD (pH 7.4): -1.82; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 24.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 52.94 cm³; (15)Molar Volume: 151.4 cm³; (16)Polarizability: 20.98×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 178.8 °C; (20)Enthalpy of Vaporization: 61.92 kJ/mol; (21)Boiling Point: 372.1 °C at 760 mmHg; (22)Vapour Pressure: 9.84E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn(c1)CCN2CCNCC2
(2)InChI: InChI=1/C9H16N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h3,6,9-10H,1-2,4-5,7-8H2
(3)InChIKey: WTDMCLGFEXQYOU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H16N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h3,6,9-10H,1-2,4-5,7-8H2
(5)Std. InChIKey: WTDMCLGFEXQYOU-UHFFFAOYSA-N

Product Name

1-(2-IMIDAZOL-1-YL-ETHYL)-PIPERAZINE

Piperazine,1-[2-(1H-imidazol-1-yl)ethyl]- Specification

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