2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate
[CAS# 35507-78-9]

Identification

• Name: 2,4-Diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate
• Synonyms: 5-(1-Adamantyl)-6-Methyl-Pyrimidine-2,4-Diamine; Ethanesulfonic Acid; [5-(1-Adamantyl)-2-Amino-6-Methyl-Pyrimidin-4-Yl]Amine; Ethanesulfonic Acid; Pyrimidine, 5-(1-Adamantyl)-2,4-Diamino-6-Methyl-, Ethylsulfonate
• Molecular Formula: C₁₇H₂₈N₄O₃S
• Molecular Weight: 368.49
• CAS Registry Number: 35507-78-9
• SMILES: C([S](=O)(=O)O)C.CC1=NC(=NC(=C1C23CC4CC(C2)CC(C3)C4)N)N
• InChI: 1S/C15H22N4.C2H6O3S/c1-8-12(13(16)19-14(17)18-8)15-5-9-2-10(6-15)4-11(3-9)7-15;1-2-6(3,4)5/h9-11H,2-7H2,1H3,(H4,16,17,18,19);2H2,1H3,(H,3,4,5)
• InChIKey: SSCSUZHOFNPPSA-UHFFFAOYSA-N

Properties

• Boiling point: 484.2°C at 760 mmHg (Cal.)
• Flash point: 278.4°C (Cal.)