1-(pyrazin-2-yl)propan-2-amine trihydrochloride

• ChemBase ID: 259782
• Molecular Formular: C7H14Cl3N3
• Molecular Mass: 246.56516
• Monoisotopic Mass: 245.0253305
• SMILES: n1c(CC(N)C)cncc1.Cl.Cl.Cl
• Canonical SMILES: CC(Cc1nccnc1)N.Cl.Cl.Cl
• InChI: InChI=1S/C7H11N3.3ClH/c1-6(8)4-7-5-9-2-3-10-7;;;/h2-3,5-6H,4,8H2,1H3;3*1H
• InChIKey: ROVIRISQVNOTOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazin-2-yl)propan-2-amine trihydrochloride
• IUPAC Traditional name: 1-(pyrazin-2-yl)propan-2-amine trihydrochloride
• Synonyms: 1-(pyrazin-2-yl)propan-2-amine trihydrochloride

Database IDs

• MDL Number: MFCD12912755
• PubChem SID: 164315692
• PubChem CID: 45791451

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6082919
• LogD (pH = 7.4): -2.8637292
• Log P: -0.601271
• Molar Refractivity: 38.8136 cm^3
• Polarizability: 15.506911 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.712

Product Information

• Purity: 95%