4-(Aminomethyl)benzeneboronic acid supplier

Name
4-(Aminomethyl)benzeneboronic acid
EINECS
CAS No. 51239-46-4
Article Data2
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₇H₁₀BNO₂
Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 150.973
Flash Point 158.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-(Aminomethyl)phenyl]boronic acid;Boronic acid, B-[4-(aminomethyl)phenyl]-;
PSA 66.48000
LogP -0.47460

4-(Aminomethyl)benzeneboronic acid Specification

The 4-(Aminomethyl)benzeneboronic acid, with the CAS registry number 51239-46-4, is also known as Boronic acid, B-[4-(aminomethyl)phenyl]-. It belongs to the product categories of Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids & Esters; Phenyls & Phenyl-Het. This chemical's molecular formula is C₇H₁₀BNO₂ and molecular weight is 150.97. What's more, both its IUPAC name and systematic name are the same which is called [4-(Aminomethyl)phenyl]boronic acid.

Physical properties about 4-(Aminomethyl)benzeneboronic acid are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.52; (4)ACD/LogD (pH 7.4): -1.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 41.53 cm³; (15)Molar Volume: 127 cm³; (16)Surface Tension: 51.1 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 158.1 °C; (19)Enthalpy of Vaporization: 61.33 kJ/mol; (20)Boiling Point: 337.7 °C at 760 mmHg; (21)Vapour Pressure: 4.02E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccc(cc1)CN
(2) InChI: InChI=1/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2
(3) InChIKey: KMWLUGSVWULTHR-UHFFFAOYAP

Product Name

4-(Aminomethyl)benzeneboronic acid

4-(Aminomethyl)benzeneboronic acid Specification

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