CAS No.13505-02-7,4-NITRO-PYRIDIN-3-YLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13505-02-7
Name:	4-NITRO-PYRIDIN-3-YLAMINE
Article Data:	5

Formula:	C₅H₅N₃O₂
Molecular Weight:	139.114
Synonyms:	3-Pyridinamine, 4-nitro-;4-Nitro-3-pyridinamine;
Density:	1.437 g/cm³
Melting Point:	138 °C(Solv: water (7732-18-5))
Boiling Point:	358.2 °C at 760 mmHg
Flash Point:	170.4 °C
PSA:	84.73000
LogP:	1.67640

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Specification

The 3-Amino-4-nitropyridine, with the CAS registry number of 13505-02-7, is also known as 3-Pyridinamine. It belongs to the product categories of NITRO; Pyridine; API intermediates; Pyridines. This chemical's molecular formula is C₅H₅N₃O₂ and molecular weight is 139.11. What's more, its systematic name is 4-Nitropyridin-3-amine.

Physical properties about the 3-Amino-4-nitropyridine are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.54; (8)ACD/KOC (pH 7.4): 60.57; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 61.95 Å²; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 35.12 cm³; (14)Molar Volume: 96.7 cm³; (15)Surface Tension: 72.8 dyne/cm; (16)Density: 1.437 g/cm³; (17)Flash Point: 170.4 °C; (18)Enthalpy of Vaporization: 60.36 kJ/mol; (19)Boiling Point: 358.2 °C at 760 mmHg; (20)Vapour Pressure: 2.6E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=[N+]([O-])c1ccncc1N
(2) InChI:InChI=1/C5H5N3O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H,6H2
(3) InChIKey:SXIUYRNIWXQXEA-UHFFFAOYAE