CAS No.389621-83-4,4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	389621-83-4
Name:	4-(PIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID
Article Data:	3

Formula:	C₁₂H₁₆BNO₃
Molecular Weight:	233.075
Synonyms:	Boronicacid, [4-(1-piperidinylcarbonyl)phenyl]- (9CI);4-(Piperidin-1-ylcarbonyl)phenylboronic acid;4-(Piperidine-1-carbonyl)benzeneboronicacid;
Density:	1.22g/cm³
Melting Point:	150-154°C
Boiling Point:	456.1 °C at 760 mmHg
Flash Point:	229.6 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	60.77000
LogP:	-0.06960

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Specification

The Boronic acid,B-[4-(1-piperidinylcarbonyl)phenyl]-, with CAS registry number 389621-83-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Aryl; (4)Organoborons. It has the systematic name of [4-(piperidin-1-ylcarbonyl)phenyl]boronic acid. And the chemical formula of this chemical is C₁₂H₁₆BNO₃.

Physical properties of Boronic acid,B-[4-(1-piperidinylcarbonyl)phenyl]-: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.42; (6)ACD/BCF (pH 7.4): 2.07; (7)ACD/KOC (pH 5.5): 65.52; (8)ACD/KOC (pH 7.4): 56.09; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 63.02 cm³; (15)Molar Volume: 190.1 cm³; (16)Polarizability: 24.98×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.22 g/cm³; (19)Flash Point: 229.6 °C; (20)Enthalpy of Vaporization: 75.44 kJ/mol; (21)Boiling Point: 456.1 °C at 760 mmHg; (22)Vapour Pressure: 4.12E-09 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
The Boronic acid,B-[4-(1-piperidinylcarbonyl)phenyl]- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)N2CCCCC2
(2)InChI: InChI=1/C12H16BNO3/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17/h4-7,16-17H,1-3,8-9H2
(3)InChIKey: PUXUKRSBJVVKMD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H16BNO3/c15-12(14-8-2-1-3-9-14)10-4-6-11(7-5-10)13(16)17/h4-7,16-17H,1-3,8-9H2
(5)Std. InChIKey: PUXUKRSBJVVKMD-UHFFFAOYSA-N