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CAS No.: | 850567-23-6 |
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Name: | 3-(Cyclopropylaminocarbonyl)phenylboronic acid |
Molecular Structure: | |
Formula: | C10H12BNO3 |
Molecular Weight: | 205.021 |
Synonyms: | Boronicacid, [3-[(cyclopropylamino)carbonyl]phenyl]- (9CI);3-(Cyclopropylcarbamoyl)phenylboronic acid;3-[(N-Cyclopropyl)aminocarbonyl]phenylboronic acid; |
Density: | 1.28 g/cm3 |
Melting Point: | 220-226 °C |
Appearance: | White to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 69.56000 |
LogP: | -0.35050 |
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The IUPAC name of 3-(Cyclopropylaminocarbonyl)phenylboronic acid is [4-(cyclopropylcarbamoyl)phenyl]boronic acid. With the CAS registry number 850567-23-6, it is also named as Boronic acid,B-[3-[(cyclopropylamino)carbonyl]phenyl]-. The product's categories are Blocks; Boronic Acids. It is white to light yellow crystal powder, which should be stored in cold place. In addition, its molecular formula is C10H12BNO3 and its molecular weight is 205.02.
The other characteristics of 3-(Cyclopropylaminocarbonyl)phenylboronic acid can be summarized as: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 53.5 cm3; (9)Molar Volume: 159.2 cm3; (10)Polarizability: 21.21×10-24cm3; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.28 g/cm3; (13)Melting Point: 220-226 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c1cc(B(O)O)ccc1)NC2CC2
(2)InChI: InChI=1/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
(3)InChIKey: ACYLEYDBPWXTIO-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)
(5)Std. InChIKey: ACYLEYDBPWXTIO-UHFFFAOYSA-N