6-methoxypyridazin-3-amine

• ChemBase ID: 66601
• Molecular Formular: C5H7N3O
• Molecular Mass: 125.12858
• Monoisotopic Mass: 125.05891186
• SMILES: c1(ccc(nn1)OC)N
• Canonical SMILES: COc1ccc(nn1)N
• InChI: InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)
• InChIKey: YPWBPONDYDVMLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridazin-3-amine
• IUPAC Traditional name: 6-methoxypyridazin-3-amine
• Synonyms: 6-Methoxypyridazin-3-amine; 3-Amino-6-methoxypyridazine

Database IDs

• CAS Number: 7252-84-8
• MDL Number: MFCD01646127
• PubChem SID: 162032338
• PubChem CID: 81673

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.023713084
• LogD (pH = 7.4): -0.021901865
• Log P: -0.021878723
• Molar Refractivity: 35.555 cm^3
• Polarizability: 12.241288 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-108°C

Safety Information

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

Product Information

• Purity: 95+%; 98%