Name: (3-Pyrrolidin-1-ylphenyl)boronic acid
SKU: 659731-18-7

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Basic Information

Molecular Structure:
CAS No.:	659731-18-7
Name:	(3-Pyrrolidin-1-ylphenyl)boronic acid

Formula:	C₁₀H₁₄BNO₂
Molecular Weight:	191.038
Synonyms:	Boronic acid, B-[3-(1-pyrrolidinyl)phenyl]-;
Density:	1.19 g/cm³
Boiling Point:	403.2 °C at 760 mmHg
Flash Point:	197.7 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	43.70000
LogP:	0.03160

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Specification

The (3-Pyrrolidin-1-ylphenyl)boronic acid, with the CAS registry number 659731-18-7, is also known as Boronic acid, B-[3-(1-pyrrolidinyl)phenyl]-. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₀H₁₄BNO₂ and molecular weight is 191.03. Its systematic name is called (3-pyrrolidin-1-ylphenyl)boronic acid.

Physical properties of (3-Pyrrolidin-1-ylphenyl)boronic acid: (1)ACD/LogP: 1.79; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 10.45; (5)ACD/BCF (pH 7.4): 11.46; (6)ACD/KOC (pH 5.5): 173.93; (7)ACD/KOC (pH 7.4): 190.6; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 53.64 cm³; (13)Molar Volume: 160.3 cm³; (14)Surface Tension: 50.2 dyne/cm; (15)Density: 1.19 g/cm³; (16)Flash Point: 197.7 °C; (17)Enthalpy of Vaporization: 69.02 kJ/mol; (18)Boiling Point: 403.2 °C at 760 mmHg; (19)Vapour Pressure: 3.17E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccc(c1)N2CCCC2
(2)InChI: InChI=1/C10H14BNO2/c13-11(14)9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8,13-14H,1-2,6-7H2
(3)InChIKey: OADUVPSZJLNMCG-UHFFFAOYAS