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CAS No.: | 913835-34-4 |
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Name: | N,N-DIETHYL 4-BORONO-3-METHOXYBENZAMIDE |
Molecular Structure: | |
Formula: | C12H18BNO4 |
Molecular Weight: | 251.09 |
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% |
Density: | 1.16 g/cm3 |
Boiling Point: | 477 °C at 760 mmHg |
Flash Point: | 242.3 °C |
Hazard Symbols: | Xi |
PSA: | 70.00000 |
LogP: | -0.14300 |
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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