3-methylpyridin-4-amine

• ChemBase ID: 64727
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1(c(N)ccnc1)C
• Canonical SMILES: Cc1cnccc1N
• InChI: InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
• InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridin-4-amine
• IUPAC Traditional name: 3-methyl-4-aminopyridine
• Synonyms: 3-methylpyridin-4-amine; 3-Methyl-4-aminopyridine; 3-Methylpyridin-4-amine; 4-Amino-3-picoline; 4-Amino-3-methylpyridine

Database IDs

• CAS Number: 1990-90-5
• MDL Number: MFCD01704431
• PubChem SID: 162030466
• PubChem CID: 74811

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5446154
• LogD (pH = 7.4): -0.49911058
• Log P: 0.4400688
• Molar Refractivity: 33.6427 cm^3
• Polarizability: 12.330026 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106-107°C
• Hydrophobicity(logP): 0.767

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Hygroscopic/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%