(7-Chloroquinolin-4-Yl)-(Tert-Butylcarbamoylmethyl)Azanium Chloride
[CAS# 80008-12-4]

Identification

• Name: (7-Chloroquinolin-4-Yl)-(Tert-Butylcarbamoylmethyl)Azanium Chloride
• Synonyms: [2-(Tert-Butylamino)-2-Oxo-Ethyl]-(7-Chloro-4-Quinolyl)Ammonium Chloride; [2-(Tert-Butylamino)-2-Oxoethyl]-(7-Chloro-4-Quinolyl)Ammonium Chloride; [2-(Tert-Butylamino)-2-Keto-Ethyl]-(7-Chloro-4-Quinolyl)Ammonium Chloride
• Molecular Formula: C₁₅H₁₉Cl₂N₃O
• Molecular Weight: 328.24
• CAS Registry Number: 80008-12-4
• SMILES: C1=CC(=CC2=C1C(=CC=N2)[NH2+]CC(NC(C)(C)C)=O)Cl.[Cl-]
• InChI: 1S/C15H18ClN3O.ClH/c1-15(2,3)19-14(20)9-18-12-6-7-17-13-8-10(16)4-5-11(12)13;/h4-8H,9H2,1-3H3,(H,17,18)(H,19,20);1H
• InChIKey: KAOIDMQTFQLEEC-UHFFFAOYSA-N

Properties

• Boiling point: 524.2°C at 760 mmHg (Cal.)
• Flash point: 270.8°C (Cal.)