CAS No.762262-07-7,4-(CYCLOHEXYLAMINOCARBONYL)PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	762262-07-7
Name:	4-(CYCLOHEXYLAMINOCARBONYL)PHENYLBORONIC ACID

Formula:	C₁₃H₁₈BNO₃
Molecular Weight:	247.1
Synonyms:	Boronicacid, [4-[(cyclohexylamino)carbonyl]phenyl]- (9CI);
Density:	1.18 g/cm³
Melting Point:	174-178 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	69.56000
LogP:	0.81980

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Specification

The Boronic acid,B-[4-[(cyclohexylamino)carbonyl]phenyl]-, with the CAS registry number 762262-07-7, is also known as N-Cyclohexyl 4-boronobenzamide. It belongs to the product categories of Amide; Blocks; Boronic Acids; Aryl; Organoborons. This chemical's molecular formula is C₁₃H₁₈BNO₃ and molecular weight is 247.1. What's more, its systematic name is called [4-(Cyclohexylcarbamoyl)phenyl]boronic acid.

Physical properties about Boronic acid,B-[4-[(cyclohexylamino)carbonyl]phenyl]-: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 32.34; (6)ACD/BCF (pH 7.4): 26.9; (7)ACD/KOC (pH 5.5): 418.75; (8)ACD/KOC (pH 7.4): 348.34; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 67.4 cm³; (15)Molar Volume: 208.1 cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.18 g/cm³; (22)Melting point: 174-178 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCCCC1)c2ccc(B(O)O)cc2
(2) InChI: InChI=1/C13H18BNO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h6-9,12,17-18H,1-5H2,(H,15,16)
(3) InChIKey: OBTMUEHMFSJFFR-UHFFFAOYAT