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Boronic acid,[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- (9CI)

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Name

Boronic acid,[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- (9CI)

EINECS N/A
CAS No. 183158-30-7 Density 1.13 g/cm3
PSA 69.56000 LogP 0.28560
Solubility N/A Melting Point 120-126°C
Formula C11H16BNO3 Boiling Point N/A
Molecular Weight 221.06 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 183158-30-7 (3-(TERT-BUTYLAMINOCARBONYL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

3-(tert-Butylaminocarbonyl)phenylboronic acid;3-(tert-Butylaminocarbonyl)benzeneboronic acid;3-(t-Butylaminocarbonyl)phenylboronic acid;

 

Boronic acid,[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- (9CI) Specification

The Boronic acid,[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- (9CI), with the CAS registry number 183158-30-7, is also known as 3-(Tert-butylaminocarbonyl)benzeneboronic acid. It belongs to the product category of Blocks & Boronic Acids. This chemical's molecular formula is C11H16BNO3 and molecular weight is 221.06. What's more, its systematic name is 3-(tert-Butylaminocarbonyl)phenylboronic acid.

Physical properties of Boronic acid,[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]- (9CI) are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 7.53; (6)ACD/BCF (pH 7.4): 5.54; (7)ACD/KOC (pH 5.5): 147.51; (8)ACD/KOC (pH 7.4): 108.48; (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: 1.532; (14)Molar Refractivity: 60.2 cm3; (15)Molar Volume: 194.1 cm3; (16)Polarizability: 23.86×10-24 cm3; (17)Surface Tension: 43.9 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(c1cc(B(O)O)ccc1)NC(C)(C)C
(2)InChI: InChI=1/C11H16BNO3/c1-11(2,3)13-10(14)8-5-4-6-9(7-8)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
(3)InChIKey: MAFLCTFKZXDGGQ-UHFFFAOYAM

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