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Name |
5-Amino-2-(hydroxymethyl)benzeneboronic acid |
EINECS | N/A |
CAS No. | 850568-79-5 | Density | 1.2 g/cm3 |
PSA | 67.79000 | LogP | 1.32430 |
Solubility | N/A | Melting Point |
134-138 °C |
Formula | C12H16BNO4 | Boiling Point | N/A |
Molecular Weight | 249.074 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
6-Amino-1-hydroxy-2,1-benzoxaborolane, N-BOC protected; |
Article Data | 2 |
The 5-Amino-2-(hydroxymethyl)benzeneboronic acid, with the CAS registry number 850568-79-5, is also known as 6-Amino-1-hydroxy-2,1-benzoxaborolane, N-BOC protected. It belongs to the product categories of Amines; Blocks; BoronicAcids. This chemical's molecular formula is C12H16BNO4 and molecular weight is 249.07. What's more, its systematic name is called tert-Butyl N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)carbamate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 5-Amino-2-(hydroxymethyl)benzeneboronic acid are: (1) #H bond acceptors: 5; (2) #H bond donors: 2; (3) #Freely Rotating Bonds: 4; (4) Polar Surface Area: 67.79 Å2; (5) Index of Refraction: 1.54; (6) Molar Refractivity: 64.74 cm3; (7) Molar Volume: 206.1 cm3; (8) Surface Tension: 44.5 dyne/cm; (9) Density: 1.2 g/cm3; (10) Melting Point: 134-138 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: B1(c2cc(ccc2CO1)NC(=O)OC(C)(C)C)O
(2) InChI: InChI=1/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)
(3) InChIKey: PHTYIDJNPFQYPQ-UHFFFAOYAM