(4-{[2-(1-Pyrrolidinyl)ethyl]carbamoyl}phenyl)boronic acid hydrochloride (1:1)
[CAS# 957060-70-7]

Identification

• Name: (4-{[2-(1-Pyrrolidinyl)ethyl]carbamoyl}phenyl)boronic acid hydrochloride (1:1)
• Synonyms: (4-((2-(Pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)boronic acid hydrochloride; (4-((2-(Pyrrolidin-1-yl)ethyl)carbamoyl)-phenyl)boronic acid hydrochloride; 4-(2-(Pyrrolidin-1-yl)ethyl carbamoyl)phenylboronic acid hydrochloride
• Molecular Formula: C₁₃H₂₀BClN₂O₃
• Molecular Weight: 298.57
• CAS Registry Number: 957060-70-7
• SMILES: B(C1=CC=C(C=C1)C(=O)NCCN2CCCC2)(O)O.Cl
• InChI: 1S/C13H19BN2O3.ClH/c17-13(15-7-10-16-8-1-2-9-16)11-3-5-12(6-4-11)14(18)19;/h3-6,18-19H,1-2,7-10H2,(H,15,17);1H
• InChIKey: WQGZMXJVRQNVRB-UHFFFAOYSA-N

Properties

• Melting point: 78-80°C (Expl.)
• Refractive index: (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT