1-[(4-Amino-2-propyl-5- pyrimidinyl)methyl]-2-methyl-Pyridinium chloride, mixt. with 4-amino-N-2-quinoxalinylbenzenesulfonamide,5-(4-chlorophenyl)-6-ethyl-2,4- pyrimidinediamine and methyl 4-(acetylamino)-2-ethoxybenzoate
[CAS# 59988-99-7]

Identification

• Name: 1-[(4-Amino-2-propyl-5- pyrimidinyl)methyl]-2-methyl-Pyridinium chloride, mixt. with 4-amino-N-2-quinoxalinylbenzenesulfonamide,5-(4-chlorophenyl)-6-ethyl-2,4- pyrimidinediamine and methyl 4-(acetylamino)-2-ethoxybenzoate
• Synonyms: 4-Amino-N-Quinoxalin-2-Yl-Benzenesulfonamide; 5-(4-Chlorophenyl)-6-Ethyl-Pyrimidine-2,4-Diamine; Methyl 4-Acetamido-2-Ethoxy-Benzoate; 5-[(2-Methylpyridin-1-Ium-1-Yl)Methyl]-2-Propyl-Pyrimidin-4-Amine; Chloride; 4-Acetamido-2-Ethoxybenzoic Acid Methyl Ester
• Molecular Formula: C₅₂H₅₉Cl₂N₁₃O₆S
• Molecular Weight: 1065.09
• CAS Registry Number: 59988-99-7
• SMILES: [N+]1(=C(C=CC=C1)C)CC2=CN=C(N=C2N)CCC.N(C3=CC=C(C(=C3)OCC)C(OC)=O)C(=O)C.C5=C(C4=C(N=C(N=C4N)N)CC)C=CC(=C5)Cl.C7=C(N[S](=O)(=O)C6=CC=C(N)C=C6)N=C8C(=N7)C=CC=C8.[Cl-]
• InChI: 1S/C14H12N4O2S.C14H19N4.C12H13ClN4.C12H15NO4.ClH/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3;/h1-9H,15H2,(H,17,18);4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H4,14,15,16,17);5-7H,4H2,1-3H3,(H,13,14);1H/q;+1;;;/p-1
• InChIKey: IVQOXVNMZGHYTN-UHFFFAOYSA-M

Properties

• Boiling point: 551.1°C at 760 mmHg (Cal.)
• Flash point: 287.1°C (Cal.)