6-propoxypyridazin-3-amine

• ChemBase ID: 67162
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: c1(ccc(nn1)OCCC)N
• Canonical SMILES: CCCOc1ccc(nn1)N
• InChI: InChI=1S/C7H11N3O/c1-2-5-11-7-4-3-6(8)9-10-7/h3-4H,2,5H2,1H3,(H2,8,9)
• InChIKey: YXEDABZQSZKQKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-propoxypyridazin-3-amine
• IUPAC Traditional name: 6-propoxypyridazin-3-amine
• Synonyms: 6-Propoxypyridazin-3-amine

Database IDs

• CAS Number: 90008-50-7
• MDL Number: MFCD09835392
• PubChem SID: 162032898
• PubChem CID: 10511047

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8556981
• LogD (pH = 7.4): 0.8574295
• Log P: 0.8574516
• Molar Refractivity: 44.8276 cm^3
• Polarizability: 15.903288 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%