methyl(pyrazin-2-ylmethyl)amine

• ChemBase ID: 68537
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: N(Cc1cnccn1)C
• Canonical SMILES: CNCc1cnccn1
• InChI: InChI=1S/C6H9N3/c1-7-4-6-5-8-2-3-9-6/h2-3,5,7H,4H2,1H3
• InChIKey: LPLXKLMQYQPDPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyrazin-2-ylmethyl)amine; methyl[(pyrazin-2-yl)methyl]amine
• IUPAC Traditional name: methyl(pyrazin-2-ylmethyl)amine
• Synonyms: methyl(pyrazin-2-ylmethyl)amine; Methylpyrazin-2-yl-methylamine; METHYL-PYRAZIN-2-YLMETHYL-AMINE; N-methyl-1-pyrazin-2-ylmethanamine

Database IDs

• CAS Number: 120739-79-9
• MDL Number: MFCD06738965
• PubChem SID: 162034268
• PubChem CID: 16762521

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3070374
• LogD (pH = 7.4): -1.5726497
• Log P: -0.8222783
• Molar Refractivity: 34.47 cm^3
• Polarizability: 13.738947 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.944

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%