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

Name
4-(2-(DIETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, HCL
EINECS
CAS No. 913835-46-8
Density
Solubility
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
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid, [4-[[[2-(diethylamino)ethyl]amino]carbonyl]phenyl]-,monohydrochloride (9CI);
PSA 72.80000
LogP 0.63090

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

Product Name

4-(2-(DIETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, HCL

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

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