CAS No.115309-58-5,6-Chloro-N-tert-butylnicotinamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	115309-58-5
Name:	6-Chloro-N-tert-butylnicotinamide
Article Data:	8

Formula:	C₁₀H₁₃ClN₂O
Molecular Weight:	212.679
Synonyms:	N-tert-butyl-6-chloropyridine-3-carboxamide;
Density:	1.153 g/cm³
Melting Point:	106.0-106.8 °C
Boiling Point:	359.227 °C at 760 mmHg
Flash Point:	171.054 °C
PSA:	41.99000
LogP:	2.65420

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Specification

The 6-Chloro-N-tert-butylnicotinamide, with the CAS registry number 115309-58-5, is also known as N-tert-Butyl-6-chloronicotinamide and 6-Chloro-N-(1,1-dimethylethyl)-3-pyridinecarboxamide. This chemical's molecular formula is C₁₀H₁₃ClN₂O and formula weight is 212.68. What's more, its systematic name is called N-tert-Butyl-6-chloropyridine-3-carboxamide.

Physical properties about this chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.98; (6)ACD/BCF (pH 7.4): 21.98; (7)ACD/KOC (pH 5.5): 317.85; (8)ACD/KOC (pH 7.4): 317.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.2 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 56.72 cm³; (15)Molar Volume: 184.5 cm³; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.152 g/cm³; (18)Flash Point: 171.1 °C; (19)Enthalpy of Vaporization: 60.48 kJ/mol; (20)Melting Point: 106.0-106.8 °C; (21)Boiling Point: 359.2 °C at 760 mmHg; (22)Vapour Pressure: 2.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(Cl)cc1)NC(C)(C)C
(2)InChI: InChI=1/C10H13ClN2O/c1-10(2,3)13-9(14)7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)
(3)InChIKey: OJIUMMXADBUVFN-UHFFFAOYAE