CAS No.116026-95-0,TERT-BUTYL 4-FORMYLPYRIDIN-3-YLCARBAMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	116026-95-0
Name:	TERT-BUTYL 4-FORMYLPYRIDIN-3-YLCARBAMATE
Article Data:	5

Formula:	C₁₁H₁₄N₂O₃
Molecular Weight:	222.244
Synonyms:	Carbamicacid, (4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI);(4-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester;
Density:	1.212 g/cm³
Melting Point:	52-53 °C
Boiling Point:	309.962 °C at 760 mmHg
Flash Point:	141.26 °C
PSA:	68.29000
LogP:	2.31410

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Specification

The tert-Butyl 4-formylpyridin-3-ylcarbamate, with the CAS registry number 116026-95-0, is also known as (4-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester. It belongs to the product categories of Aldehydes; Pyridines; Building Blocks; Pyridine. This chemical's molecular formula is C₁₁H₁₄N₂O₃ and molecular weight is 222.24. What's more, its IUPAC name is called tert-Butyl N-(4-formylpyridin-3-yl)carbamate.

Physical properties about tert-Butyl 4-formylpyridin-3-ylcarbamate are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 34; (6)ACD/BCF (pH 7.4): 35; (7)ACD/KOC (pH 5.5): 438; (8)ACD/KOC (pH 7.4): 440; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.29 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 60.978 cm³; (15)Molar Volume: 183.337 cm³; (16)Surface Tension: 48.706 dyne/cm; (17)Density: 1.212 g/cm³; (18)Flash Point: 141.26 °C; (19)Enthalpy of Vaporization: 55.076 kJ/mol; (20)Boiling Point: 309.962 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)Nc1cnccc1C=O
(2) InChI: InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)
(3) InChIKey: YLKONQAWPOHLPX-UHFFFAOYSA-N