Name: 5-NITRO-2-(N-PROPYLAMINO)PYRIDINE
SKU: 25948-11-2

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Basic Information

Molecular Structure:
CAS No.:	25948-11-2
Name:	5-NITRO-2-(N-PROPYLAMINO)PYRIDINE

Formula:	C₈H₁₁N₃O₂
Molecular Weight:	181.194
Synonyms:	2-Propylamino-5-nitropyridine;5-Nitro-2-(n-propylamino)pyridine;Pyridine,5-nitro-2-(propylamino)- (8CI);5-nitro-N-propylpyridin-2-amine;
EINECS:	247-357-0
Density:	1.232 g/cm³
Melting Point:	94-96 °C
Boiling Point:	322.1 °C at 760 mmHg
Flash Point:	148.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25
PSA:	70.74000
LogP:	2.40790

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Specification

The 2-Pyridinamine,5-nitro-N-propyl-, with the CAS registry number 25948-11-2 and EINECS registry number 247-357-0, has the systematic name of 5-nitro-N-propylpyridin-2-amine. It is a kind of yellow crystalline powder, and the molecular formula of this chemical is C₈H₁₁N₃O₂.

The physical properties of 2-Pyridinamine,5-nitro-N-propyl- are as following: (1)ACD/LogP: 2.69 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.75; (6)ACD/BCF (pH 7.4): 64.8; (7)ACD/KOC (pH 5.5): 688.65; (8)ACD/KOC (pH 7.4): 689.15; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.95 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 49.76 cm³; (15)Molar Volume: 146.9 cm³; (16)Polarizability: 19.72×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 56.39 kJ/mol; (21)Boiling Point: 322.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000286 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnc(NCCC)cc1
(2)InChI: InChI=1/C8H11N3O2/c1-2-5-9-8-4-3-7(6-10-8)11(12)13/h3-4,6H,2,5H2,1H3,(H,9,10)
(3)InChIKey: KZWODZHPEMBNTR-UHFFFAOYAA