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51460-32-3

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Basic Information
CAS No.: 51460-32-3
Name: 1-(5-Aminopyridin-2-yl)ethanone
Article Data: 7
Molecular Structure:
Molecular Structure of 51460-32-3 (1-(5-Aminopyridin-2-yl)ethanone)
Formula: C7H8N2O
Molecular Weight: 136.153
Synonyms: 1-(5-Aminopyridin-2-yl)ethanone;2-Acetyl-5-aminopyridine;
Density: 1.169 g/cm3
Boiling Point: 336.726 °C at 760 mmHg
Flash Point: 157.446 °C
PSA: 55.98000
LogP: 1.44760
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Specification

The Ethanone,1-(5-amino-2-pyridinyl)-, with the CAS registry number 51460-32-3, is also known as 2-Acetyl-5-aminopyridine. This chemical's molecular formula is C7H8N2O and molecular weight is 136.15. What's more, its IUPAC name and systematic name are the same which is called 1-(5-Aminopyridin-2-yl)ethanone.

Physical properties about Ethanone,1-(5-amino-2-pyridinyl)-: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 38.608 cm3; (15)Molar Volume: 116.468 cm3; (16)Surface Tension: 51.788dyne/cm; (17)Density: 1.169 g/cm3; (18)Flash Point: 157.446 °C; (19)Enthalpy of Vaporization: 57.991 kJ/mol; (20)Boiling Point: 336.726 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cnc(cc1)C(=O)C
(2) InChI: InChI=1/C7H8N2O/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,8H2,1H3
(3) InChIKey: YUSDJXUPLQYFJW-UHFFFAOYAE