pent-3-yn-1-amine hydrochloride

• ChemBase ID: 248011
• Molecular Formular: C5H10ClN
• Molecular Mass: 119.5926
• Monoisotopic Mass: 119.05017701
• SMILES: C(#CCCN)C.Cl
• Canonical SMILES: CC#CCCN.Cl
• InChI: InChI=1S/C5H9N.ClH/c1-2-3-4-5-6;/h4-6H2,1H3;1H
• InChIKey: LRBILJVWKVSKDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pent-3-yn-1-amine hydrochloride
• IUPAC Traditional name: pent-3-yn-1-amine hydrochloride
• Synonyms: pent-3-yn-1-amine hydrochloride

Database IDs

• PubChem SID: 164303921
• PubChem CID: 71340253

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2853346
• LogD (pH = 7.4): -1.6293011
• Log P: 0.7277155
• Molar Refractivity: 27.7548 cm^3
• Polarizability: 10.386352 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.444

Product Information

• Purity: 95%