3-phenyl-1-(pyrazin-2-yl)propan-1-amine

• ChemBase ID: 811014
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: NC(CCc1ccccc1)c1cnccn1
• Canonical SMILES: NC(c1cnccn1)CCc1ccccc1
• InChI: InChI=1S/C13H15N3/c14-12(13-10-15-8-9-16-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,12H,6-7,14H2
• InChIKey: BLOQFLXXPMGPFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1-(pyrazin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-phenyl-1-(pyrazin-2-yl)propan-1-amine
• Synonyms: 3-PHENYL-1-PYRAZIN-2-YL-PROPYLAMINE

Database IDs

• CAS Number: 885275-26-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3183384
• LogD (pH = 7.4): 0.2550768
• Log P: 1.4148005
• Molar Refractivity: 63.4093 cm^3
• Polarizability: 25.124233 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%