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Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]-

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Name

Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]-

EINECS N/A
CAS No. 762262-11-3 Density 1.27 g/cm3
PSA 93.35000 LogP -0.59922
Solubility N/A Melting Point 226-236°C
Formula C10H11BN2O3 Boiling Point N/A
Molecular Weight 218.02 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 762262-11-3 (3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- (9CI);[3-(2-Cyanoethylcarbamoyl)phenyl]boronic acid;{3-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid;

 

Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]-, with the CAS registry number 762262-11-3, has the systematic nane of {3-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid. It belongs to the product categories of Blocks and Boronic Acids. And the molecular formula of the chemical is C10H11BN2O3.

The characteristics of Boronic acid,B-[3-[[(2-cyanoethyl)amino]carbonyl]phenyl]- are as followings: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 62.56 Å2; (7)Index of Refraction: 1.562; (8)Molar Refractivity: 55.51 cm3; (9)Molar Volume: 171.1 cm3; (10)Polarizability: 22×10-24cm3; (11)Surface Tension: 58.3 dyne/cm; (12)Density: 1.27 g/cm3.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CCCNC(=O)c1cc(B(O)O)ccc1
(2)InChI: InChI=1/C10H11BN2O3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,6H2,(H,13,14)
(3)InChIKey: RIXOLHWXBQWQFL-UHFFFAOYAV

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