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Name |
4-Piperidinecarboxylicacid, 1-(4-boronobenzoyl)- (9CI) |
EINECS | N/A |
CAS No. | 850593-02-1 | Density | 1.37 g/cm3 |
PSA | 98.07000 | LogP | -0.75890 |
Solubility | N/A | Melting Point |
110-114 °C |
Formula | C13H16BNO5 | Boiling Point | 571.8 °C at 760 mmHg |
Molecular Weight | 277.08 | Flash Point | 299.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(4-Boronobenzoyl)piperidine-4-carboxylic acid;N-(4-Carboxy)piperidinyl 4-boronobenzamide; |
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