1-(5-Nitropyridin-2-yl)-4-piperidinamine supplier

Name
1-(5-Nitropyridin-2-yl)-4-piperidinamine
EINECS
CAS No. 252577-85-8
Article Data2
CAS DataBase
Density 1.274g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₄O₂
Boiling Point 415.7 °C at 760 mmHg
Molecular Weight 222.24
Flash Point 205.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-NITROPYRIDIN-2-YL)-4-PIPERIDINAMINE
PSA 87.97000
LogP 2.20580

1-(5-Nitropyridin-2-yl)-4-piperidinamine Specification

The 1-(5-Nitropyridin-2-yl)-4-piperidinamine, with CAS registry number 252577-85-8, has the systematic name of 1-(5-nitropyridin-2-yl)piperidin-4-amine. Besides this, it is also called 4-piperidinamine, 1-(5-nitro-2-pyridinyl)-. And the chemical formula of this chemical is C₁₀H₁₄N₄O₂.

Physical properties of 1-(5-Nitropyridin-2-yl)-4-piperidinamine: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -1.08; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.19 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 59.25 cm³; (15)Molar Volume: 174.3 cm³; (16)Polarizability: 23.49×10^-24cm³; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 205.2 °C; (20)Enthalpy of Vaporization: 66.88 kJ/mol; (21)Boiling Point: 415.7 °C at 760 mmHg; (22)Vapour Pressure: 4.05E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(cc1)N2CCC(N)CC2
(2)InChI: InChI=1/C10H14N4O2/c11-8-3-5-13(6-4-8)10-2-1-9(7-12-10)14(15)16/h1-2,7-8H,3-6,11H2
(3)InChIKey: UXNGJVZEAQGYOA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H14N4O2/c11-8-3-5-13(6-4-8)10-2-1-9(7-12-10)14(15)16/h1-2,7-8H,3-6,11H2
(5)Std. InChIKey: UXNGJVZEAQGYOA-UHFFFAOYSA-N

Product Name

1-(5-Nitropyridin-2-yl)-4-piperidinamine

1-(5-Nitropyridin-2-yl)-4-piperidinamine Specification

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