6-methylpyridazin-3-amine

• ChemBase ID: 63346
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(ccc(N)nn1)C
• Canonical SMILES: Cc1ccc(nn1)N
• InChI: InChI=1S/C5H7N3/c1-4-2-3-5(6)8-7-4/h2-3H,1H3,(H2,6,8)
• InChIKey: KAZMCIGKULUUMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridazin-3-amine
• IUPAC Traditional name: 6-methylpyridazin-3-amine
• Synonyms: 3-Amino-6-methylpyridazine; 6-Methylpyridazin-3-amine

Database IDs

• CAS Number: 18591-82-7
• MDL Number: MFCD01569899
• PubChem SID: 162029085
• PubChem CID: 87712

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.38650554
• LogD (pH = 7.4): -0.3280928
• Log P: -0.32729483
• Molar Refractivity: 33.3698 cm^3
• Polarizability: 11.451124 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223-227°C

Safety Information

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

Product Information

• Purity: >95%; 95+%; 98%