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Acetamide,N-2-pyridinyl- (5231-96-9)

Identification
Name:Acetamide,N-2-pyridinyl-
Synonyms:Acetamide,N-2-pyridyl- (8CI); Pyridine, 2-acetamido- (6CI,7CI); 2-Acetamidopyridine;2-Acetylaminopyridine; N-(2-Pyridinyl)acetamide; N-2-Pyridylacetamide; NSC28291
CAS:5231-96-9
Molecular Formula: C7H8 N2 O
Molecular Weight: 136.15
InChI: InChI=1/C7H8N2O/c1-6(10)9-7-4-2-3-5-8-7/h2-5H,1H3,(H,8,9,10)
Molecular Structure: (C7H8N2O) Acetamide,N-2-pyridyl- (8CI); Pyridine, 2-acetamido- (6CI,7CI); 2-Acetamidopyridine;2-Acetylaminopyr...
Properties
Melting Point: 69 °C
Flash Point: 162°C
Boiling Point: 148 °C / 13mmHg
Density:1.176g/cm3
Refractive index:1.581
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.

Flash Point: 162°C
Safety Data