1-(3-Pyridinyl)piperazine supplier

Name
1-(3-Pyridinyl)piperazine
EINECS
CAS No. 67980-77-2
Article Data21
CAS DataBase
Density 1.081 g/cm³
Solubility
Melting Point 48-52°C
Formula C₉H₁₃N₃
Boiling Point 314.396 °C at 760 mmHg
Molecular Weight 163.222
Flash Point 143.942 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Pyridinyl)piperazine;1-(3-Pyridyl)piperazine;1-(Pyridin-3-yl)piperazine;3-(Piperazin-4-yl)pyridine;NSC 505538;
PSA 28.16000
LogP 0.88500

1-(3-Pyridinyl)piperazine Specification

The 1-(3-Pyridinyl)piperazine, with CAS registry number of 67980-77-2, belongs to the following product categories: pharmacetical. Its systematic name and IUPAC name are the same, which is 1-(pyridin-3-yl)piperazine. Besides this, it is also named Piperazine, 1-(3-pyridinyl)-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 28.16 Å²; (10)Index of Refraction: 1.547; (11)Molar Refractivity: 47.897 cm³; (12)Molar Volume: 150.958 cm³; (13)Polarizability: 18.988×10^-24cm³; (14)Surface Tension: 42.1 dyne/cm; (15)Enthalpy of Vaporization: 55.555 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cnc1)N2CCNCC2
(2)InChI: InChI=1/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
(3)InChIKey: DNDJHEWLYGJJCY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H13N3/c1-2-9(8-11-3-1)12-6-4-10-5-7-12/h1-3,8,10H,4-7H2
(5)Std. InChIKey: DNDJHEWLYGJJCY-UHFFFAOYSA-N

Product Name

1-(3-Pyridinyl)piperazine

1-(3-Pyridinyl)piperazine Specification

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