2-(pyrazin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 24722
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: n1c(CCN)cncc1.Cl
• Canonical SMILES: NCCc1cnccn1.Cl
• InChI: InChI=1S/C6H9N3.ClH/c7-2-1-6-5-8-3-4-9-6;/h3-5H,1-2,7H2;1H
• InChIKey: BRCZMQXTZBZJBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrazin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(pyrazin-2-yl)ethan-1-amine hydrochloride; 2-(pyrazin-2-yl)ethanamine hydrochloride
• Synonyms: 2-Pyrazin-2-yl-ethylamine hydrochloride; 2-Pyrazin-2-ylethanamine hydrochloride

Database IDs

• MDL Number: MFCD08445600
• PubChem SID: 160988029
• PubChem CID: 19047797

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.007462
• LogD (pH = 7.4): -3.0822475
• Log P: -1.017846
• Molar Refractivity: 34.3948 cm^3
• Polarizability: 13.664622 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false