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

Name
6-pyrrolidin-1-yl- pyridineboronic acid
EINECS
CAS No. 1150114-75-2
Article Data3
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point
Formula C₉H₁₃BN₂O₂
Boiling Point 421.3 °C at 760 mmHg
Molecular Weight 192.025
Flash Point 208.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 56.59000
LogP -0.57340

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^-24cm³; (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

Product Name

6-pyrrolidin-1-yl- pyridineboronic acid

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

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