(5-methylpyrazin-2-yl)methanamine

• ChemBase ID: 64395
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(cnc(c1)C)CN
• Canonical SMILES: Cc1cnc(cn1)CN
• InChI: InChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,2,7H2,1H3
• InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylpyrazin-2-yl)methanamine
• IUPAC Traditional name: (5-methylpyrazin-2-yl)methanamine
• Synonyms: (5-Methylpyrazin-2-yl)methylamine; 2-(Aminomethyl)-5-methyl-1,4-diazine; 2-(Aminomethyl)-5-methylpyrazine

Database IDs

• CAS Number: 132664-85-8
• MDL Number: MFCD01314542
• PubChem SID: 162030134
• PubChem CID: 2756496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7218037
• LogD (pH = 7.4): -2.068387
• Log P: -1.1234885
• Molar Refractivity: 34.2869 cm^3
• Polarizability: 13.662583 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 94°C
• Density: 1.09

Safety Information

• Storage Warning: Corrosive/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%