CAS No.337904-92-4,5-tert-butoxycarbonylamino-pyridine-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	337904-92-4
Name:	5-tert-butoxycarbonylamino-pyridine-3-carboxylic acid
Article Data:	3

Formula:	C₁₁H₁₄N₂O₄
Molecular Weight:	238.24
Synonyms:	5-[(tert-Butoxycarbonyl)amino]nicotinicacid;
Density:	1.293 g/cm³
Boiling Point:	360.385 °C at 760 mmHg
Flash Point:	171.755 °C
PSA:	88.52000
LogP:	2.19980

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Specification

The 3-Pyridinecarboxylicacid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, with the CAS registry number 337904-92-4, is also known as 5-[(tert-Butoxycarbonyl)amino]nicotinic acid. This chemical's molecular formula is C₁₁H₁₄N₂O₄ and molecular weight is 238.24. What's more, its IUPAC name is called 5-[(2-Methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.

Physical properties about 3-Pyridinecarboxylicacid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]- are: (1)ACD/LogP: 1.805; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.30; (4)ACD/LogD (pH 7.4): -1.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.82; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 88.52 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 61.156 cm³; (15)Molar Volume: 184.2 cm³; (16)Polarizability: 24.244×10^-24cm³; (17)Surface Tension: 54.902 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 171.755 °C; (20)Enthalpy of Vaporization: 63.951 kJ/mol; (21)Boiling Point: 360.385 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cncc(NC(=O)OC(C)(C)C)c1
(2) InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h4-6H,1-3H3,(H,13,16)(H,14,15)
(3) InChIKey: KOKMNLWZMSIVQZ-UHFFFAOYSA-N