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Name |
Boronic acid,B-[4-[[(2-methylpropyl)amino]carbonyl]phenyl]- |
EINECS | N/A |
CAS No. | 850568-13-7 | Density | 1.13 g/cm3 |
PSA | 69.56000 | LogP | 0.14310 |
Solubility | N/A | Melting Point |
206-216 °C |
Formula | C11H16BNO3 | Boiling Point | N/A |
Molecular Weight | 221.064 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [4-[[(2-methylpropyl)amino]carbonyl]phenyl]- (9CI);4-(N-Isobutylaminocarbonyl)benzeneboronic acid;[4-(Isobutylaminocarbonyl)phenyl]boronic acid;[4-[[(2-Methylpropyl)amino]carbonyl]phenyl]boronic acid; |
The Boronic acid,B-[4-[[(2-methylpropyl)amino]carbonyl]phenyl]-, with the CAS registry number 850568-13-7, is also known as [4-(Isobutylaminocarbonyl)phenyl]boronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C11H16BNO3 and molecular weight is 221.06. What's more, its systematic name is {4-[(2-methylpropyl)carbamoyl]phenyl}boronic acid.
Physical properties of Boronic acid,B-[4-[[(2-methylpropyl)amino]carbonyl]phenyl]- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 10.38; (6)ACD/BCF (pH 7.4): 8.66; (7)ACD/KOC (pH 5.5): 185.63; (8)ACD/KOC (pH 7.4): 154.84; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 60.18 cm3; (15)Molar Volume: 194.3 cm3; (16)Polarizability: 23.85×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.13 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. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(B(O)O)cc1)NCC(C)C
(2)InChI: InChI=1S/C11H16BNO3/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)12(15)16/h3-6,8,15-16H,7H2,1-2H3,(H,13,14)
(3)InChIKey: DUBSEAOPNSRHHN-UHFFFAOYSA-N