Impletol
[CAS# 8013-38-5]

Identification

• Name: Impletol
• Synonyms: 4-Aminobenzoic Acid 2-Diethylaminoethyl Ester; 1,3,7-Trimethylpurine-2,6-Dione; Hydrochloride; 4-Aminobenzoic Acid 2-Diethylaminoethyl Ester; Caffeine; Hydrochloride
• Molecular Formula: C₂₁H₃₁ClN₆O₄
• Molecular Weight: 466.97
• CAS Registry Number: 8013-38-5
• SMILES: [H+].C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C.C(OC(=O)C3=CC=C(N)C=C3)CN(CC)CC.[Cl-]
• InChI: 1S/C13H20N2O2.C8H10N4O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h5-8H,3-4,9-10,14H2,1-2H3;4H,1-3H3;1H
• InChIKey: KLLJPGZYSIBGFA-UHFFFAOYSA-N

Properties

• Boiling point: 373.6°C at 760 mmHg (Cal.)
• Flash point: 179.8°C (Cal.)