Benzenamine,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, hydrochloride (1:1) supplier

Name
3-AMINOBENZENEBORONIC ACID, NEOPENTYL GLYCOL ESTER HYDROCHLORIDE
EINECS
CAS No. 850567-43-0
Density
Solubility
Melting Point 228-230 °C
Formula C₁₁H₁₇BClNO₂
Boiling Point 391.6 °C at 760 mmHg
Molecular Weight 241.52
Flash Point 190.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenamine,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, hydrochloride (9CI);3-Aminobenzeneboronic acid, neopentyl glycol ester hydrochloride;3-Aminophenylboronic acid,neopentylglycol ester;
PSA 44.48000
LogP 2.42020

Benzenamine,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, hydrochloride (1:1) Specification

The systematic name of Benzenamine,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, hydrochloride (1:1) is 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)aniline hydrochloride. With the CAS registry number 850567-43-0, it is also named as 3-Aminobenzeneboronic acid, neopentyl glycol ester hydrochloride. The product's categories are Amines; Blocks; Boronic Acids. In addition, its molecular formula is C₁₁H₁₇BClNO₂ and its molecular weight is 241.52.

The other characteristics of Benzenamine,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, hydrochloride (1:1) can be summarized as: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 44.48 Å²; (5)Flash Point: 190.6 °C; (6)Melting Point: 228-230 °C; (7)Enthalpy of Vaporization: 65.37 kJ/mol; (8)Boiling Point: 391.6 °C at 760 mmHg; (9)Vapour Pressure: 1.63E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: B1(OCC(CO1)(C)C)c2cccc(c2)N.Cl
(2)InChI: InChI=1/C11H16BNO2.ClH/c1-11(2)7-14-12(15-8-11)9-4-3-5-10(13)6-9;/h3-6H,7-8,13H2,1-2H3;1H
(3)InChIKey: YQYGZJXWLKFOIA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H16BNO2.ClH/c1-11(2)7-14-12(15-8-11)9-4-3-5-10(13)6-9;/h3-6H,7-8,13H2,1-2H3;1H
(5)Std. InChIKey: YQYGZJXWLKFOIA-UHFFFAOYSA-N

Product Name

3-AMINOBENZENEBORONIC ACID, NEOPENTYL GLYCOL ESTER HYDROCHLORIDE

Benzenamine,3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, hydrochloride (1:1) Specification

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