Clomacran
[CAS# 22199-46-8]

Identification

• Name: Clomacran
• Synonyms: 3-(2-Chloro-9,10-Dihydroacridin-9-Yl)Propyl-Dimethyl-Ammonium; Dihydrogen Phosphate; 3-(2-Chloro-9,10-Dihydroacridin-9-Yl)Propyl-Dimethylammonium; Dihydrogen Phosphate; 3-(2-Chloro-9,10-Dihydroacridin-9-Yl)Propyl-Dimethyl-Azanium; Dihydrogen Phosphate
• Molecular Formula: C₁₈H₂₄ClN₂O₄P
• Molecular Weight: 398.83
• CAS Registry Number: 22199-46-8 (5310-55-4)
• SMILES: C3=C2C(C1=CC=CC=C1NC2=CC=C3Cl)CCC[NH+](C)C.O=[P]([O-])(O)O
• InChI: 1S/C18H21ClN2.H3O4P/c1-21(2)11-5-7-14-15-6-3-4-8-17(15)20-18-10-9-13(19)12-16(14)18;1-5(2,3)4/h3-4,6,8-10,12,14,20H,5,7,11H2,1-2H3;(H3,1,2,3,4)
• InChIKey: SKKDWRIEPIZVOR-UHFFFAOYSA-N

Properties

• Boiling point: 402.4°C at 760 mmHg (Cal.)
• Flash point: 197.2°C (Cal.)