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(R)-N-Boc-pyrrolidin-2-ylboronic acid

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Name

(R)-N-Boc-pyrrolidin-2-ylboronic acid

EINECS N/A
CAS No. 149716-78-9 Density 1.15 g/cm3
PSA 0.00000 LogP 0.00000
Solubility N/A Melting Point N/A
Formula C9H18BNO4 Boiling Point 349.226 °C at 760 mmHg
Molecular Weight 215.05 Flash Point 165.006 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 149716-78-9 ((R)-N-Boc-pyrrolidin-2-ylboronic acid) Hazard Symbols N/A
Synonyms

(R)-1-(tert-Butoxycarbonyl)pyrrolidin-2-ylboronic acid;

Article Data 11

(R)-N-Boc-pyrrolidin-2-ylboronic acid Specification

The (R)-N-Boc-pyrrolidin-2-ylboronic acid, with the CAS registry number 149716-78-9, is also known as (R)-1-(tert-Butoxycarbonyl)pyrrolidin-2-ylboronic acid. This chemical's molecular formula is C9H18BNO4 and molecular weight is 215.05. What's more, its systematic name is [(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl]boronic acid. 

Physical properties of (R)-N-Boc-pyrrolidin-2-ylboronic acid are: (1)ACD/LogP: 0.683; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.95; (6)ACD/BCF (pH 7.4): 1.94; (7)ACD/KOC (pH 5.5): 56.04; (8)ACD/KOC (pH 7.4): 55.88; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 70 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 53.935 cm3; (15)Molar Volume: 186.963 cm3; (16)Polarizability: 21.382×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 165.006 °C; (20)Enthalpy of Vaporization: 68.75 kJ/mol; (21)Boiling Point: 349.226 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B([C@@H]1CCCN1C(=O)OC(C)(C)C)(O)O
(2)Std. InChI: InChI=1S/C9H18BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h7,13-14H,4-6H2,1-3H3/t7-/m0/s1
(3)Std. InChIKey: UIIUYLRUCQCTST-ZETCQYMHSA-N

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