6-(Piperidin-1-yl)pyridin-3-ylboronic acid supplier

Name
6-(1-PIPERIDINYL)-3-PYRIDINYLBORONIC ACID
EINECS
CAS No. 1002129-33-0
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₅BN₂O₂
Boiling Point 429.8 °C at 760 mmHg
Molecular Weight 206.05
Flash Point 213.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-(1-PIPERIDINYL)-3-PYRIDINYLBORONIC ACID;(6-PIPERIDIN-1-YLPYRIDIN-3-YL)BORONIC ACID;2-PIPERIDINYL PYRIDINE-5-BORONIC ACID;6-(Piperidin-1-yl)pyridine-3-boronic acid
PSA 56.59000
LogP -0.18330

6-(Piperidin-1-yl)pyridin-3-ylboronic acid Specification

The 6-(Piperidin-1-yl)pyridin-3-ylboronic acid, with its CAS registry number 1002129-33-0, has the systematic name of [6-(1-piperidyl)-3-pyridyl]boronic acid. And it has the molecular formula of C₁₀H₁₅BN₂O₂ and the molecular weight of 206.05.

The characteristics of 6-(Piperidin-1-yl)pyridin-3-ylboronic acid are as follows: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.25; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 56.59 Å²; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 56.07 cm³; (11)Molar Volume: 169.6 cm³; (12)Polarizability: 22.23×10^-24cm³; (13)Surface Tension: 55.3 dyne/cm; (14)Density: 1.21 g/cm³; (15)Flash Point: 213.8 °C; (16)Enthalpy of Vaporization: 72.23 kJ/mol; (17)Boiling Point: 429.8 °C at 760 mmHg; (18)Vapour Pressure: 3.75E-08 mmHg at 25°C; (19)Exact Mass: 206.122658; (20)MonoIsotopic Mass: 206.122658; (21)Topological Polar Surface Area: 56.6; (22)Heavy Atom Count: 15; (23)Complexity: 198; (24)Covalently-Bonded Unit Count: 1.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: B(C1=CN=C(C=C1)N2CCCCC2)(O)O
(2)InChI: InChI=1S/C10H15BN2O2/c14-11(15)9-4-5-10(12-8-9)13-6-2-1-3-7-13/h4-5,8,14-15H,1-3,6-7H2
(3)InChIKey: FPXBTJSTSXJJBK-UHFFFAOYSA-N

Product Name

6-(1-PIPERIDINYL)-3-PYRIDINYLBORONIC ACID

6-(Piperidin-1-yl)pyridin-3-ylboronic acid Specification

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