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2-Acetamidopyridine

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Name

2-Acetamidopyridine

EINECS 214-589-6
CAS No. 5231-96-9 Density 1.176 g/cm3
PSA 41.99000 LogP 1.11300
Solubility N/A Melting Point 69 °C
Formula C7H8N2O Boiling Point 344.3 °C at 760 mmHg
Molecular Weight 136.153 Flash Point 162 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5231-96-9 (2-ACETAMIDOPYRIDINE) Hazard Symbols IrritantXi
Synonyms

Acetamide,N-2-pyridyl- (8CI);Pyridine, 2-acetamido- (6CI,7CI);2-Acetamidopyridine;2-Acetylaminopyridine;N-(2-Pyridinyl)acetamide;N-2-Pyridylacetamide;NSC28291;

Article Data 4

2-Acetamidopyridine Specification

The CAS register number of 2-Acetamidopyridine is 5231-96-9. It also can be called as Acetamide,N-2-pyridinyl- and the IUPAC name about this chemical is N-pyridin-2-ylacetamide. It belongs to the pharmacetical.

Physical properties about 2-Acetamidopyridine are: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.31; (6)ACD/KOC (pH 5.5): 28.53; (7)ACD/KOC (pH 7.4): 42.06; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 33.2Å2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 38.61 cm3; (13)Molar Volume: 115.7 cm3; (14)Polarizability: 15.3x10-24cm3; (15)Surface Tension: 48.3 dyne/cm; (16)Enthalpy of Vaporization: 58.83 kJ/mol; (17)Boiling Point: 344.3 °C at 760 mmHg; (18)Vapour Pressure: 6.64E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by pyridin-2-ylamine and acetic acid anhydride. The reaction time is 3 hour(s) at heating.

Uses of 2-Acetamidopyridine: it can be used to produce N-pyridin-2-yl-thioacetamide. This reaction will need reagent P2S5.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ncccc1)C
(2)InChI: InChI=1/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
(3)InChIKey: QROKOTBWFZITJZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
(5)Std. InChIKey: QROKOTBWFZITJZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 400mg/kg (400mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 81, Pg. 1208, 1961.

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