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| CAS No.: | 874297-79-7 |
|---|---|
| Name: | 1-CYCLOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA |
| Molecular Structure: | |
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| Formula: | C16H23BN2O3 |
| Molecular Weight: | 302.181 |
| Synonyms: | 1-CYCLOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-CYCLOPROPYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-(3-Cyclopropylureido)benzeneboronic acid, pinacol ester;4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester;4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 97%;4-(3-Cyclopropylureido)phenylboronic acid,pinacol;Urea, N-cyclopropyl-N-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| Density: | 1.14 g/cm3 |
| Melting Point: | 227-229 °C |
| Boiling Point: | 414.8 °C at 760 mmHg |
| Flash Point: | 204.7 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 59.59000 |
| LogP: | 2.73360 |
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- Total:22 Page 1 of 1 1
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Specification
The 4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester is an organic compound with the formula C16H23BN2O3. The systematic name of this chemical is 1-cyclopropyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874297-79-7, it is also named as 4-(3-Cyclopropylureido)benzeneboronic acid, pinacol ester. The product's categories are Blocks; BoronicAcids.
Physical properties about 4-[(Cyclopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 59.59 Å2; (5)Index of Refraction: 1.543; (6)Molar Refractivity: 83.33 cm3; (7)Molar Volume: 264 cm3; (8)Polarizability: 33.03×10-24cm3; (9)Surface Tension: 41.5 dyne/cm; (10)Density: 1.14 g/cm3; (11)Flash Point: 204.7 °C; (12)Enthalpy of Vaporization: 66.78 kJ/mol; (13)Boiling Point: 414.8 °C at 760 mmHg; (14)Vapour Pressure: 4.31E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)NC3CC3
(2)InChI: InChI=1/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)11-5-7-12(8-6-11)18-14(20)19-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
(3)InChIKey: TUHNHHNBHVOYFR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C16H23BN2O3/c1-15(2)16(3,4)22-17(21-15)11-5-7-12(8-6-11)18-14(20)19-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H2,18,19,20)
(5)Std. InChIKey: TUHNHHNBHVOYFR-UHFFFAOYSA-N