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5-(tert-Butylcarbamoyl)pyridine-3-boronic acid

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Name

5-(tert-Butylcarbamoyl)pyridine-3-boronic acid

EINECS N/A
CAS No. 913835-99-1 Density 1.18 g/cm3
PSA 82.45000 LogP -0.31940
Solubility N/A Melting Point 245-250°C
Formula C10H15BN2O3 Boiling Point N/A
Molecular Weight 222.052 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 913835-99-1 (5-(tert-Butylcarbamoyl)pyridine-3-boronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [5-[[(1,1-dimethylethyl)amino]carbonyl]-3-pyridinyl]- (9CI);

 

5-(tert-Butylcarbamoyl)pyridine-3-boronic acid Specification

The 5-(tert-Butylcarbamoyl)pyridine-3-boronic acid with the CAS number 913835-99-1 is also called Boronic acid,B-[5-[[(1,1-dimethylethyl)amino]carbonyl]-3-pyridinyl]-. The systematic name is [5-(tert-butylcarbamoyl)-3-pyridyl]boronic acid. Its molecular formula is C10H15BN2O3. This chemical belongs to the following product categories: (1)blocks; (2)BoronicAcids; (3)Pyridines. It is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32 ; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 82.45 Å2; (8)Index of Refraction: 1.532; (9)Molar Refractivity: 58 cm3; (10)Molar Volume: 187 cm3; (11)Polarizability: 22.99×10-24cm3; (12)Surface Tension: 49.2 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cnc1)C(=O)NC(C)(C)C)(O)O
(2)InChI: InChI=1/C10H15BN2O3/c1-10(2,3)13-9(14)7-4-8(11(15)16)6-12-5-7/h4-6,15-16H,1-3H3,(H,13,14)
(3)InChIKey: FOJHBAIYLMKAIB-UHFFFAOYAR

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