5-((3,4,5-Trimethoxyphenyl)Methyl)-2,4-Pyrimidinediamine Monohydrate
[CAS# 69449-07-6]

Identification

• Name: 5-((3,4,5-Trimethoxyphenyl)Methyl)-2,4-Pyrimidinediamine Monohydrate
• Synonyms: [2-Amino-5-(3,4,5-Trimethoxybenzyl)Pyrimidin-4-Yl]Amine Hydrate; 2,4-Pyrimidinediamine, 5-((3,4,5-Trimethoxyphenyl)Methyl)-, Monohydrate
• Molecular Formula: C₁₄H₂₀N₄O₄
• Molecular Weight: 308.34
• CAS Registry Number: 69449-07-6
• SMILES: C1=C(C=C(OC)C(=C1OC)OC)CC2=CN=C(N=C2N)N.O
• InChI: 1S/C14H18N4O3.H2O/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1H2
• InChIKey: GNRAWISNIRRMLZ-UHFFFAOYSA-N

Properties

• Boiling point: 526°C at 760 mmHg (Cal.)
• Flash point: 271.9°C (Cal.)