(6-methylpyridazin-3-yl)methanamine

• ChemBase ID: 63222
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: NCc1ccc(C)nn1
• Canonical SMILES: Cc1ccc(nn1)CN
• InChI: InChI=1S/C6H9N3/c1-5-2-3-6(4-7)9-8-5/h2-3H,4,7H2,1H3
• InChIKey: VEVZZZIAWSOTML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyridazin-3-yl)methanamine
• IUPAC Traditional name: (6-methylpyridazin-3-yl)methanamine
• Synonyms: (6-Methylpyridazin-3-yl)methanamine

Database IDs

• CAS Number: 1004972-49-9
• MDL Number: MFCD17015869
• PubChem SID: 162028961
• PubChem CID: 55284503

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5186093
• LogD (pH = 7.4): -1.8803083
• Log P: -0.8855861
• Molar Refractivity: 36.3071 cm^3
• Polarizability: 13.670689 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%