CAS No.397843-67-3,4-(N-Isopropylaminocarbonyl)phenylboronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	397843-67-3
Name:	4-(N-Isopropylaminocarbonyl)phenylboronic acid
Article Data:	3

Formula:	C₁₀H₁₄BNO₃
Molecular Weight:	207.037
Synonyms:	Boronicacid, [4-[[(1-methylethyl)amino]carbonyl]phenyl]- (9CI);
Density:	1.16 g/cm³
Melting Point:	162-167°C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	69.56000
LogP:	-0.10450

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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