CAS No.1226776-95-9,2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1226776-95-9
Name:	2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile
Article Data:	5

Formula:	C₉H₁₁N₃
Molecular Weight:	161.20374
Synonyms:	2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile;2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile;
Density:	1.112 g/cm³
Boiling Point:	345.922 °C at 760 mmHg
Flash Point:	163.008 °C
PSA:	62.70000
LogP:	2.04618

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Specification

This chemical is called 2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile, and it's also named as 2-Pyridineacetonitrile, 5-amino-α,α-dimethyl-. With the molecular formula of C₉H₁₁N₃, its molecular weight is 161.20374. The CAS registry number of this chemical is 1226776-95-9.

Other characteristics of the 2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile can be summarised as followings: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.011; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.492; (7)ACD/KOC (pH 7.4): 24.139; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 62.7 Å²; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 46.881 cm³; (14)Molar Volume: 145.008 cm³; (15)Polarizability: 18.585×10^-24cm³; (16)Surface Tension: 48.966 dyne/cm; (17)Density: 1.112 g/cm³; (18)Flash Point: 163.008 °C; (19)Enthalpy of Vaporization: 59.004 kJ/mol; (20)Boiling Point: 345.922 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C#N)c1ccc(cn1)N
2.InChI: InChI=1/C9H11N3/c1-9(2,6-10)8-4-3-7(11)5-12-8/h3-5H,11H2,1-2H3
3.InChIKey: ONYGTHTZAUUIJI-UHFFFAOYAN