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1594-58-7

Basic Information
CAS No.: 1594-58-7
Name: 3-PYRIDYLAMIDOXIME
Article Data: 60
Molecular Structure:
Molecular Structure of 1594-58-7 (3-PYRIDYLAMIDOXIME)
Formula: C6H7N3O
Molecular Weight: 137.141
Synonyms: N-Hydroxynicotinamidine;NSC 208697;NSC 220324;N'-Hydroxypyridine-3-carboximidamide;Pyridine-3-amidoxime;Nicotinamidoxime(6CI,7CI,8CI);3-Pyridinecarboxamide oxime;3-Pyridinecarboxamidoxime;
Density: 1.31 g/cm3
Melting Point: 130-135 °C(lit.)
Boiling Point: 350 °C at 760 mmHg
Flash Point: 165.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 71.50000
LogP: 0.87640
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Specification

The 3-Pyridylamidoxime is an organic compound with the formula C6H7N3O. The IUPAC name of this chemical is N'-hydroxypyridine-3-carboximidamide. With the CAS Registry number 1594-58-7, it is also named as 3-Pyridinecarboximidamide,N-hydroxy-. The product's categories are Pharmacetical; Pyridines. It is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-Pyridylamidoxime can be summarized as: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.47; (8)ACD/KOC (pH 7.4): 15.47; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.72 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 36.51 cm3; (15)Molar Volume: 103.9 cm3; (16)Polarizability: 14.47×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Enthalpy of Vaporization: 62.75 kJ/mol; (19)Vapour Pressure: 1.69E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: ON=C(c1cccnc1)N
2. InChI: InChI=1/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)
3. InChIKey: AQBMQGDKWIPBRF-UHFFFAOYAF