2-[(2,2-Dimethylpropanoyl)amino]pyridine-4-carboxylic acid supplier

Name
2-(2,2-Dimethyl-propionylamino)-isonicotinic acid
EINECS
CAS No. 470463-34-4
Article Data3
CAS DataBase
Density 1.249 g/cm³
Solubility
Melting Point 268.0-268.1°C
Formula C₁₁H₁₄N₂O₃
Boiling Point 532.5 °C at 760 mmHg
Molecular Weight 222.244
Flash Point 275.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID;2-Pivalamidoisonicotinic acid
PSA
LogP

2-[(2,2-Dimethylpropanoyl)amino]pyridine-4-carboxylic acid Specification

This chemical is called 2-[(2,2-Dimethylpropanoyl)amino]pyridine-4-carboxylic acid, and it's also named as 2-(2,2-Dimethyl-propionylamino)-isonicotinic acid. With the molecular formula of C₁₁H₁₄N₂O₃, its molecular weight is 222.24. The CAS registry number of this chemical is 470463-34-4.

Other characteristics of the 2-[(2,2-Dimethylpropanoyl)amino]pyridine-4-carboxylic acid can be summarised as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.91; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 79.29 Å²; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 59.41 cm³; (13)Molar Volume: 177.8 cm³; (14)Polarizability: 23.55×10^-24cm³; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.249 g/cm³; (17)Flash Point: 275.8 °C; (18)Enthalpy of Vaporization: 85.08 kJ/mol; (19)Boiling Point: 532.5 °C at 760 mmHg; (20)Vapour Pressure: 3.61E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1cc(ccn1)C(O)=O)C(C)(C)C
2.InChI: InChI=1/C11H14N2O3/c1-11(2,3)10(16)13-8-6-7(9(14)15)4-5-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
3.InChIKey: LZNLPRWDHJXBEH-UHFFFAOYAB

Product Name

2-(2,2-Dimethyl-propionylamino)-isonicotinic acid

2-[(2,2-Dimethylpropanoyl)amino]pyridine-4-carboxylic acid Specification

Related Products

Hot Products