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4-(N-Isopropylaminocarbonyl)phenylboronic acid

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Name

4-(N-Isopropylaminocarbonyl)phenylboronic acid

EINECS N/A
CAS No. 397843-67-3 Density 1.16 g/cm3
PSA 69.56000 LogP -0.10450
Solubility N/A Melting Point 162-167°C
Formula C10H14BNO3 Boiling Point N/A
Molecular Weight 207.037 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 397843-67-3 (4-(N-Isopropylaminocarbonyl)phenylboronic acid) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [4-[[(1-methylethyl)amino]carbonyl]phenyl]- (9CI);

Article Data 3

4-(N-Isopropylaminocarbonyl)phenylboronic acid Specification

This chemical is called Boronic acid, B-[4-[[(1-methylethyl)amino]carbonyl]phenyl]-. With the molecular formula of C10H14BNO3, its molecular weight is 207.03. The CAS registry number of this chemical is 397843-67-3. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the Boronic acid, B-[4-[[(1-methylethyl)amino]carbonyl]phenyl]- can be summarised as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 4.1; (6)ACD/BCF (pH 7.4): 3.41; (7)ACD/KOC (pH 5.5): 95.41; (8)ACD/KOC (pH 7.4): 79.35; (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: 1.536; (14)Molar Refractivity: 55.54 cm3; (15)Molar Volume: 178 cm3; (16)Polarizability: 22.02×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.16 g/cm3.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1ccc(B(O)O)cc1)NC(C)C
2.InChI: InChI=1/C10H14BNO3/c1-7(2)12-10(13)8-3-5-9(6-4-8)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
3.InChIKey: GBCSEYKTZAKRMT-UHFFFAOYAA

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