4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid supplier

Name
N,N-DIETHYL 4-BORONO-3-METHOXYBENZAMIDE
EINECS
CAS No. 913835-34-4
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈BNO₄
Boiling Point 477 °C at 760 mmHg
Molecular Weight 251.09
Flash Point 242.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(DIETHYLCARBAMOYL)-2-METHOXY]PHENYLBORONIC ACID;N,N-DIETHYL 4-BORONO-3-METHOXYBENZAMIDE;4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid;4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid 96%
PSA 70.00000
LogP -0.14300

4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid Specification

This chemical is called 4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid, and its CAS registry number is 913835-34-4. With the molecular formula of C₁₂H₁₈BNO₄, its molecular weight is 251.09. Additionally, its product categories are Blocks; Boronic Acids; Carboxes.

Other characteristics of the 4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid can be summarised as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.35; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 70 Å²; (9)Index of Refraction: 1.534; (10)Molar Refractivity: 66.79 cm³; (11)Molar Volume: 214.6 cm³; (12)Polarizability: 26.48×10^-24cm³; (13)Surface Tension: 46.4 dyne/cm; (14)Density: 1.16 g/cm³; (15)Flash Point: 242.3 °C; (16)Enthalpy of Vaporization: 78.04 kJ/mol; (17)Boiling Point: 477 °C at 760 mmHg; (18)Vapour Pressure: 6.59E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: B(c1ccc(cc1OC)C(=O)N(CC)CC)(O)O
2.InChI: InChI=1/C12H18BNO4/c1-4-14(5-2)12(15)9-6-7-10(13(16)17)11(8-9)18-3/h6-8,16-17H,4-5H2,1-3H3
3.InChIKey: VKKSSTUUJZQAQY-UHFFFAOYAN

Product Name

N,N-DIETHYL 4-BORONO-3-METHOXYBENZAMIDE

4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid Specification

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