5-Cyclopropylpyridine-3-boronic acid supplier

Name
5-CYCLOPROPYLPYRIDIN-3-YLBORONIC ACID
EINECS
CAS No. 1044210-58-3
Article Data2
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point
Formula C₈H₁₀BNO₂
Boiling Point 364.88 °C at 760 mmHg
Molecular Weight 163.08
Flash Point 174.473 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (5-Cyclopropylpyridin-3-yl)boronic acid;Boronic acid,B-(5-cyclopropyl-3-pyridinyl)-;
PSA 53.35000
LogP -0.36120

5-Cyclopropylpyridine-3-boronic acid Specification

The CAS registry number of 5-Cyclopropylpyridine-3-boronic acid is 1044210-58-3. The IUPAC name is 5-Cyclopentyl-5-ethylimidazolidine-2,4-dione. In addition, the formula is C₈H₁₀BNO₂ and the molecular weight is 163.08.

Physical properties about this chemical are: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.736; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.991; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.401; (8)ACD/KOC (pH 7.4): 3.495; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.35 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 42.909 cm³; (15)Molar Volume: 130.852 cm³; (16)Polarizability: 17.011 ×10^-24cm³; (17)Surface Tension: 53.664 dyne/cm; (18)Density: 1.246 g/cm³; (19)Flash Point: 174.473 °C; (20)Enthalpy of Vaporization: 64.477 kJ/mol; (21)Boiling Point: 364.88 °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(c1cc(cnc1)C2CC2)(O)O
(2)InChI: InChI=1/C8H10BNO2/c11-9(12)8-3-7(4-10-5-8)6-1-2-6/h3-6,11-12H,1-2H2
(3)InChIKey: MLRXPBXNCWRWOM-UHFFFAO

Product Name

5-CYCLOPROPYLPYRIDIN-3-YLBORONIC ACID

5-Cyclopropylpyridine-3-boronic acid Specification

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