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1032758-88-5

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Basic Information
CAS No.: 1032758-88-5
Name: 2-(tert-Butoxycarbonylamino)pyrimidine-5-boronic acid, pinacol ester
Article Data: 3
Molecular Structure:
Molecular Structure of 1032758-88-5 (2-(tert-Butoxycarbonylamino)pyrimidine-5-boronic acid, pinacol ester)
Formula: C15H24BN3O4
Molecular Weight: 321.184
Synonyms: Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, 1,1-dimethylethyl ester;N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]carbamic acid 1,1-dimethylethyl ester;2-(Boc-amino)pyrimidine-5-boronic acid pinacol ester;
Density: 1.13 g/cm3
Hazard Symbols: Xi
Risk Codes: 43
Safety: 36/37
PSA: 82.57000
LogP: 2.19580
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Specification

The [2-[(tert-Butoxycarbonyl)amino]pyrimidin-5-yl]boronic acid pinacol ester, with the CAS registry number 1032758-88-5, is also known as N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]carbamic acid 1,1-dimethylethyl ester. This chemical's molecular formula is C15H24BN3O4 and molecular weight is 321.18. Its IUPAC name and systematic name are the same which is called tert-Butyl [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]carbamate.

Physical properties about this chemical are: (1)#H bond acceptors: 7; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 82.57 Å2; (5)Index of Refraction: 1.503; (6)Molar Refractivity: 83.71 cm3; (7)Molar Volume: 283.1 cm3; (8)Surface Tension: 42.1 dyne/cm; (9)Density: 1.13 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C15H24BN3O4/c1-13(2,3)21-12(20)19-11-17-8-10(9-18-11)16-22-14(4,5)15(6,7)23-16/h8-9H,1-7H3,(H,17,18,19,20)
(3)InChIKey: XICHESWFGOSKMN-UHFFFAOYSA-N