The 4-(Propylaminocarbonyl)benzeneboronic acid is an organic compound with the formula C10H14BNO3. The systematic name of this chemical is [4-(Propylcarbamoyl)phenyl]boronic acid. With the CAS registry number 171922-46-6, it is also named as N-Propyl 4-boronobenzamide. The product's categories are Blocks; BoronicAcids. Besides, its molecular weight is 207.03.
Physical properties about 4-(Propylaminocarbonyl)benzeneboronic acid are: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): 1.29; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 5.65; (5)ACD/BCF (pH 7.4): 4.72; (6)ACD/KOC (pH 5.5): 120.14; (7)ACD/KOC (pH 7.4): 100.33; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 55.57 cm3; (14)Molar Volume: 177.4 cm3; (15)Polarizability: 22.03×10-24 cm3; (16)Surface Tension: 46.6 dyne/cm; (17)Density: 1.16 g/cm3.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H14BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h3-6,14-15H,2,7H2,1H3,(H,12,13)
(2)InChIKey: KWJCBWYHJKWCRD-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C10H14BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h3-6,14-15H,2,7H2,1H3,(H,12,13)
(4)Std. InChIKey: KWJCBWYHJKWCRD-UHFFFAOYSA-N
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