3-(5-methylpyrazin-2-yl)propan-1-amine

• ChemBase ID: 814318
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C(CCc1cnc(cn1)C)N
• Canonical SMILES: Cc1cnc(cn1)CCCN
• InChI: InChI=1S/C8H13N3/c1-7-5-11-8(6-10-7)3-2-4-9/h5-6H,2-4,9H2,1H3
• InChIKey: QJXGUDOLECBKCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-methylpyrazin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-(5-methylpyrazin-2-yl)propan-1-amine
• Synonyms: 3-(5-methylpyrazin-2-yl)propan-1-amine

Database IDs

• CAS Number: 1196152-52-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6177754
• LogD (pH = 7.4): -3.094133
• Log P: -0.5978146
• Molar Refractivity: 43.7413 cm^3
• Polarizability: 17.273432 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%