[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid supplier

Name
[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid
EINECS
CAS No. 397843-69-5
Article Data2
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point 252-260 °C
Formula C₁₀H₁₄BNO₃
Boiling Point
Molecular Weight 207.037
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[[(1-methylethyl)amino]carbonyl]phenyl]- (9CI);3-(Isopropylaminocarbonyl)benzeneboronic acid;[3-(Isopropylcarbamoyl)phenyl]boronic acid;
PSA 69.56000
LogP -0.10450

[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid Specification

This chemical is called Boronic acid, B-[3-[[(1-methylethyl)amino]carbonyl]phenyl]-, and its systematic name is {3-[(1-methylethyl)carbamoyl]phenyl}boronic acid. With the molecular formula of C₁₀H₁₄BNO₃, its molecular weight is 207.03. The CAS registry number of this chemical is 397843-69-5. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the Boronic acid, B-[3-[[(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): 0.97; (5)ACD/BCF (pH 5.5): 4.09; (6)ACD/BCF (pH 7.4): 2.98; (7)ACD/KOC (pH 5.5): 95.2; (8)ACD/KOC (pH 7.4): 69.48; (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: 1.536; (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.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cc(B(O)O)ccc1)NC(C)C
2.InChI: InChI=1/C10H14BNO3/c1-7(2)12-10(13)8-4-3-5-9(6-8)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
3.InChIKey: QDCRYXCSQKAWNM-UHFFFAOYAH

Product Name

[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid

[3-(N-Isopropylaminocarbonyl)phenyl]boronic acid Specification

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