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| Name |
Boronicacid, B-[4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]- |
EINECS | N/A |
| CAS No. | 913835-45-7 | Density | 1.26 g/cm3 |
| PSA | 82.03000 | LogP | -1.24280 |
| Solubility | N/A | Melting Point |
112-114°C |
| Formula | C13H19BN2O4 | Boiling Point | N/A |
| Molecular Weight | 278.116 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39 | Risk Codes | 41 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Boronicacid, [4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]- (9CI); |
Boronicacid, B-[4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]- Specification
The Boronicacid, B-[4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]-, with CAS registry number 913835-45-7, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-(2-morpholinoethylcarbamoyl)phenyl]boronic acid. And the chemical formula of this chemical is C13H19BN2O4.
Physical properties of Boronicacid, B-[4-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]phenyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 82.03 Å2; (6)Index of Refraction: 1.577; (7)Molar Refractivity: 73.04 cm3; (8)Molar Volume: 220.1 cm3; (9)Polarizability: 28.95×10-24cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)NCCN2CCOCC2)(O)O
(2)InChI: InChI=1/C13H19BN2O4/c17-13(11-1-3-12(4-2-11)14(18)19)15-5-6-16-7-9-20-10-8-16/h1-4,18-19H,5-10H2,(H,15,17)
(3)InChIKey: SFJAUBYTKBOMQG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C13H19BN2O4/c17-13(11-1-3-12(4-2-11)14(18)19)15-5-6-16-7-9-20-10-8-16/h1-4,18-19H,5-10H2,(H,15,17)
(5)Std. InChIKey: SFJAUBYTKBOMQG-UHFFFAOYSA-N
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