CAS No.171178-41-9,N-Boc-5-amino-2-fluoropyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	171178-41-9
Name:	N-Boc-5-amino-2-fluoropyridine
Article Data:	14

Formula:	C₁₀H₁₃FN₂O₂
Molecular Weight:	212.22
Synonyms:	Carbamicacid, (6-fluoro-3-pyridinyl)-, 1,1-dimethylethyl ester (9CI);(6-Fluoropyridin-3-yl)carbamic acid tert-butyl ester;
EINECS:	200-589-5
Density:	1.207 g/cm³
Boiling Point:	258.294 °C at 760 mmHg
Flash Point:	110.013 °C
PSA:	51.22000
LogP:	2.64070

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Specification

This chemical is called N-Boc-5-amino-2-fluoropyridine, and its systematic name is tert-butyl (6-fluoropyridin-3-yl)carbamate. With the molecular formula of C₁₀H₁₃FN₂O₂, its molecular weight is 212.22. The CAS registry number of this chemical is 171178-41-9, and its product category is N-BOC.

Other characteristics of the N-Boc-5-amino-2-fluoropyridine can be summarised as followings: (1)ACD/LogP: 1.78; (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): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 212; (8)ACD/KOC (pH 7.4): 212; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.22 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 54.219 cm³; (15)Molar Volume: 175.88 cm³; (16)Polarizability: 21.494×10^-24cm³; (17)Surface Tension: 41.498 dyne/cm; (18)Density: 1.207 g/cm³; (19)Flash Point: 110.013 °C; (20)Enthalpy of Vaporization: 49.589 kJ/mol; (21)Boiling Point: 258.294 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ncc(NC(=O)OC(C)(C)C)cc1
2.InChI: InChI=1/C10H13FN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
3.InChIKey: FXGNEIOGSGKPFL-UHFFFAOYAP
4.Std. InChI: InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
5.Std. InChIKey: FXGNEIOGSGKPFL-UHFFFAOYSA-N