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Boronic acid, B-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride (1:1)

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Name

Boronic acid, B-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride (1:1)

EINECS N/A
CAS No. 913835-46-8 Density N/A
PSA 72.80000 LogP 0.63090
Solubility N/A Melting Point 65-67°C
Formula C13H22BClN2O3 Boiling Point 494.3 °C at 760 mmHg
Molecular Weight 300.58938 Flash Point 252.7 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 913835-46-8 (4-(2-(DIETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, HCL) Hazard Symbols IrritantXi
Synonyms

Boronic acid, [4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,monohydrochloride (9CI);

 

Boronic acid, B-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride (1:1) Specification

The Boronic acid, B-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride (1:1), with CAS registry number 913835-46-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-(2-diethylaminoethylcarbamoyl)phenyl]boronic acid hydrochloride. And the chemical formula of this chemical is C13H22BClN2O3.

Physical properties of Boronic acid, B-[4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,hydrochloride (1:1): (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 72.8 Å2; (7)Flash Point: 252.7 °C; (8)Enthalpy of Vaporization: 80.21 kJ/mol; (9)Boiling Point: 494.3 °C at 760 mmHg; (10)Vapour Pressure: 1.38E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)NCCN(CC)CC)(O)O.Cl
(2)InChI: InChI=1/C13H21BN2O3.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(8-6-11)14(18)19;/h5-8,18-19H,3-4,9-10H2,1-2H3,(H,15,17);1H
(3)InChIKey: WQYCSVUEHAFRHV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H21BN2O3.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(8-6-11)14(18)19;/h5-8,18-19H,3-4,9-10H2,1-2H3,(H,15,17);1H
(5)Std. InChIKey: WQYCSVUEHAFRHV-UHFFFAOYSA-N

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