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6-Pyrrolidin-1-yl-Pyridine-3-boronic acid

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Name

6-Pyrrolidin-1-yl-Pyridine-3-boronic acid

EINECS N/A
CAS No. 1150114-75-2 Density 1.25 g/cm3
PSA 56.59000 LogP -0.57340
Solubility N/A Melting Point N/A
Formula C9H13BN2O2 Boiling Point 421.3 °C at 760 mmHg
Molecular Weight 192.025 Flash Point 208.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1150114-75-2 (6-pyrrolidin-1-yl- pyridineboronic acid) Hazard Symbols N/A
Synonyms

Boronic acid, B-[6-(1-pyrrolidinyl)-3-pyridinyl]-;(6-Pyrrolidin-1-yl-3-pyridyl)boronic acid;2-Pyrrolidin-1-yl-pyridine-5-boronic acid;

Article Data 3

6-Pyrrolidin-1-yl-Pyridine-3-boronic acid Specification

The 6-Pyrrolidin-1-yl-Pyridine-3-boronic acid, with the CAS registry number 1150114-75-2, is also known as Boronic acid, B-[6-(1-pyrrolidinyl)-3-pyridinyl]-. This chemical's molecular formula is C9H13BN2O2 and molecular weight is 192.02. What's more, its systematic name is (6-Pyrrolidin-1-yl-3-pyridyl)boronic acid.

Physical properties of 6-Pyrrolidin-1-yl-Pyridine-3-boronic acid are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 56.59 Å2; (8)Index of Refraction: 1.586; (9)Molar Refractivity: 51.44 cm3; (10)Molar Volume: 153.2 cm3; (11)Polarizability: 20.39×10-24 cm3; (12)Surface Tension: 57.8 dyne/cm; (13)Density: 1.25 g/cm3; (14)Flash Point: 208.6 °C; (15)Enthalpy of Vaporization: 71.2 kJ/mol; (16)Boiling Point: 421.3 °C at 760 mmHg; (17)Vapour Pressure: 7.5E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CN=C(C=C1)N2CCCC2)(O)O
(2)InChI: InChI=1S/C9H13BN2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7,13-14H,1-2,5-6H2
(3)InChIKey: XRIDMVCUHIKAFT-UHFFFAOYSA-N

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