dimethoxy-1,3,5-triazin-2-amine

• ChemBase ID: 67899
• Molecular Formular: C5H8N4O2
• Molecular Mass: 156.14262
• Monoisotopic Mass: 156.06472552
• SMILES: n1c(nc(nc1OC)OC)N
• Canonical SMILES: COc1nc(OC)nc(n1)N
• InChI: InChI=1S/C5H8N4O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3,(H2,6,7,8,9)
• InChIKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethoxy-1,3,5-triazin-2-amine
• IUPAC Traditional name: dimethoxy-1,3,5-triazin-2-amine
• Synonyms: 2-Amino-4,6-dimethoxy-1,3,5-triazine; 2-Amino-4,6-dimethoxy-1,3,5-triazine 98%

Database IDs

• CAS Number: 16370-63-1
• MDL Number: MFCD00052765
• PubChem SID: 162033634
• PubChem CID: 27840

CALCULATED PROPERTIES

• Acid pKa: 14.89808
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.7476927
• LogD (pH = 7.4): 0.74781996
• Log P: 0.74782157
• Molar Refractivity: 39.9864 cm^3
• Polarizability: 13.979852 Å^3
• Polar Surface Area: 83.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-222°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%