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| Name |
Boronic acid,B-[3-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]- |
EINECS | N/A |
| CAS No. | 850567-31-6 | Density | 1.17 g/cm3 |
| PSA | 72.80000 | LogP | -0.95130 |
| Solubility | N/A | Melting Point |
42-45 °C |
| Formula | C11H17BN2O3 | Boiling Point | N/A |
| Molecular Weight | 236.079 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [3-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]- (9CI);[3-[[2-(Dimethylamino)ethyl]carbamoyl]phenyl]boronic acid;3-(2-Dimethylaminoethylaminocarbonyl)benzeneboronic acid; |
Boronic acid,B-[3-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]- Specification
The systematic name of Boronic acid,B-[3-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]- is [3-(2-dimethylaminoethylcarbamoyl)phenyl]boronic acid. With the CAS registry number 850567-31-6, it is also named as 3-(2-Dimethylaminoethylaminocarbonyl)benzeneboronic acid. The product's categories are Blocks; Boronic Acids. In addition, its molecular formula is C11H17BN2O3 and its molecular weight is 236.08.
The other characteristics of Boronic acid,B-[3-[[[2-(dimethylamino)ethyl]amino]carbonyl]phenyl]- can be summarized as: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 72.8 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 64.08 cm3; (9)Molar Volume: 200.2 cm3; (10)Polarizability: 25.4×10-24cm3; (11)Surface Tension: 49 dyne/cm; (12)Density: 1.17 g/cm3; (13)Melting Point: 42-45 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1cccc(c1)C(=O)NCCN(C)C)(O)O
(2)InChI: InChI=1/C11H17BN2O3/c1-14(2)7-6-13-11(15)9-4-3-5-10(8-9)12(16)17/h3-5,8,16-17H,6-7H2,1-2H3,(H,13,15)
(3)InChIKey: WGZQGJKHTBTXLD-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H17BN2O3/c1-14(2)7-6-13-11(15)9-4-3-5-10(8-9)12(16)17/h3-5,8,16-17H,6-7H2,1-2H3,(H,13,15)
(5)Std. InChIKey: WGZQGJKHTBTXLD-UHFFFAOYSA-N
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