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2-(tert-Butoxycarbonylamino)pyridine-3-boronic acid

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Name

2-(tert-Butoxycarbonylamino)pyridine-3-boronic acid

EINECS N/A
CAS No. 863753-35-9 Density 1.232 g/cm3
PSA 91.68000 LogP 0.18140
Solubility N/A Melting Point N/A
Formula C10H15BN2O4 Boiling Point N/A
Molecular Weight 238.051 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 863753-35-9 ((2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDIN-3-YL)BORONIC ACID) Hazard Symbols N/A
Synonyms

Carbamic acid, (3-borono-2-pyridinyl)-,C-(1,1-dimethylethyl) ester (9CI);[2-(tert-Butoxycarbonylamino)pyridin-3-yl]boronic acid;2-(t-Butoxycarbonylamino)pyridine-3-boronic acid;

 

2-(tert-Butoxycarbonylamino)pyridine-3-boronic acid Specification

The CAS register number of Carbamic acid, N-(3-borono-2-pyridinyl)-,C-(1,1-dimethylethyl) ester is 863753-35-9. It also can be called as 2-(t-Butoxycarbonylamino)pyridine-3-boronic acid and the systematic name about this chemical is {2-[(tert-butoxycarbonyl)amino]pyridin-3-yl}boronic acid. The molecular formula about this chemical is C10H15BN2O4 and the molecular weight is 238.0481.

Physical properties about Carbamic acid, N-(3-borono-2-pyridinyl)-,C-(1,1-dimethylethyl) ester are: (1)ACD/LogP: -0.17; (2)ACD/LogD (pH 5.5): 1 ; (3)ACD/BCF (pH 5.5): 2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 60; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 91.68Å2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 59.75 cm3; (13)Molar Volume: 193.242 cm3; (14)Polarizability: 23.687x10-24cm3; (15)Surface Tension: 50.788 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccnc1NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C10H15BN2O4/c1-10(2,3)17-9(14)13-8-7(11(15)16)5-4-6-12-8/h4-6,15-16H,1-3H3,(H,12,13,14)
(3)InChIKey: QOAIOWWKQBFCQE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H15BN2O4/c1-10(2,3)17-9(14)13-8-7(11(15)16)5-4-6-12-8/h4-6,15-16H,1-3H3,(H,12,13,14)
(5)Std. InChIKey: QOAIOWWKQBFCQE-UHFFFAOYSA-N

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