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CAS No.: | 850593-02-1 |
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Name: | 1-(4-BORONOBENZOYL)PIPERIDINE-4-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C13H16BNO5 |
Molecular Weight: | 277.08 |
Synonyms: | 1-(4-Boronobenzoyl)piperidine-4-carboxylic acid;N-(4-Carboxy)piperidinyl 4-boronobenzamide; |
Density: | 1.37 g/cm3 |
Melting Point: | 110-114 °C |
Boiling Point: | 571.8 °C at 760 mmHg |
Flash Point: | 299.6 °C |
Hazard Symbols: | Xi |
PSA: | 98.07000 |
LogP: | -0.75890 |
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The 4-Piperidinecarboxylicacid, 1-(4-boronobenzoyl)- (9CI), with the CAS registry number 850593-02-1, is also known as N-(4-Carboxy)piperidinyl 4-boronobenzamide. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C13H16BNO5 and molecular weight is 277.08. What's more, its systematic name is 1-(4-boronobenzoyl)piperidine-4-carboxylic acid.
Physical properties of 4-Piperidinecarboxylicacid, 1-(4-boronobenzoyl)- (9CI) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 98.07 Å2; (6)Index of Refraction: 1.604; (7)Molar Refractivity: 69.28 cm3; (8)Molar Volume: 201.4 cm3; (9)Polarizability: 27.46×10-24cm3; (10)Surface Tension: 65.3 dyne/cm; (11)Density: 1.37 g/cm3; (12)Flash Point: 299.6 °C; (13)Enthalpy of Vaporization: 90.18 kJ/mol; (14)Boiling Point: 571.8 °C at 760 mmHg; (15)Vapour Pressure: 6.51E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)N2CCC(CC2)C(=O)O)(O)O
(2)InChI: InChI=1S/C13H16BNO5/c16-12(9-1-3-11(4-2-9)14(19)20)15-7-5-10(6-8-15)13(17)18/h1-4,10,19-20H,5-8H2,(H,17,18)
(3)InChIKey: URCVWENBDSHRDE-UHFFFAOYSA-N