Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)- supplier

Name
2-(4-Methylpiperazin-1-yl)-5-nitropyridine
EINECS
CAS No. 55403-34-4
Article Data22
CAS DataBase
Density 1.249g/cm³
Solubility
Melting Point 108-110°C
Formula C₁₀H₁₄N₄O₂
Boiling Point 385.1 °C at 760 mmHg
Molecular Weight 222.247
Flash Point 186.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-4-(5-nitropyridin-2-yl)piperazine;2-(N-Methylpiperazino)-5-nitropyridine;
PSA 65.19000
LogP 1.26770

Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)- Specification

The Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)-, with CAS registry number 55403-34-4, belongs to the following product categories: (1)Amines and Anilines; (2)Heterocycles. It has the systematic name of 1-methyl-4-(5-nitropyridin-2-yl)piperazine. And the chemical formula of this chemical is C₁₀H₁₄N₄O₂.

Physical properties of Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)-: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.35; (7)ACD/KOC (pH 5.5): 4.79; (8)ACD/KOC (pH 7.4): 105.65; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.19 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 59.36 cm³; (15)Molar Volume: 177.8 cm³; (16)Polarizability: 23.53×10^-24cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 186.7 °C; (20)Enthalpy of Vaporization: 63.39 kJ/mol; (21)Boiling Point: 385.1 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(nc1)N2CCN(C)CC2
(2)InChI: InChI=1/C10H14N4O2/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16/h2-3,8H,4-7H2,1H3
(3)InChIKey: DZIASOMGGPNYCU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H14N4O2/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)14(15)16/h2-3,8H,4-7H2,1H3
(5)Std. InChIKey: DZIASOMGGPNYCU-UHFFFAOYSA-N

Product Name

2-(4-Methylpiperazin-1-yl)-5-nitropyridine

Piperazine,1-methyl-4-(5-nitro-2-pyridinyl)- Specification

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