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

• ChemBase ID: 241385
• Molecular Formular: C7H12ClN3
• Molecular Mass: 173.64328
• Monoisotopic Mass: 173.07197508
• SMILES: n1c(cncc1)CCCN.Cl
• Canonical SMILES: NCCCc1cnccn1.Cl
• InChI: InChI=1S/C7H11N3.ClH/c8-3-1-2-7-6-9-4-5-10-7;/h4-6H,1-3,8H2;1H
• InChIKey: QHXHJSMEOOCWKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrazin-2-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 3-(pyrazin-2-yl)propan-1-amine hydrochloride
• Synonyms: 3-(pyrazin-2-yl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22421871
• PubChem SID: 164297295
• PubChem CID: 71756777

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7491276
• LogD (pH = 7.4): -3.2255027
• Log P: -0.72918475
• Molar Refractivity: 39.1498 cm^3
• Polarizability: 15.507539 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192 - 194°C
• Hydrophobicity(logP): -0.642

Product Information

• Purity: 95%