1-(pyrazin-2-yl)butan-1-amine

• ChemBase ID: 811017
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: NC(CCC)c1cnccn1
• Canonical SMILES: CCCC(c1cnccn1)N
• InChI: InChI=1S/C8H13N3/c1-2-3-7(9)8-6-10-4-5-11-8/h4-7H,2-3,9H2,1H3
• InChIKey: GRCUTLOLHFPBBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazin-2-yl)butan-1-amine
• IUPAC Traditional name: 1-(pyrazin-2-yl)butan-1-amine
• Synonyms: 1-PYRAZIN-2-YL-BUTYLAMINE

Database IDs

• CAS Number: 885275-28-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4571407
• LogD (pH = 7.4): -0.88800615
• Log P: 0.2809966
• Molar Refractivity: 43.3143 cm^3
• Polarizability: 17.425135 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%