2-aminopent-4-ynamide hydrochloride

• ChemBase ID: 243725
• Molecular Formular: C5H9ClN2O
• Molecular Mass: 148.59076
• Monoisotopic Mass: 148.0403406
• SMILES: C(=O)(C(N)CC#C)N.Cl
• Canonical SMILES: NC(C(=O)N)CC#C.Cl
• InChI: InChI=1S/C5H8N2O.ClH/c1-2-3-4(6)5(7)8;/h1,4H,3,6H2,(H2,7,8);1H
• InChIKey: LHUURJVZZIYPKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopent-4-ynamide hydrochloride
• IUPAC Traditional name: 2-aminopent-4-ynamide hydrochloride
• Synonyms: 2-aminopent-4-ynamide hydrochloride

Database IDs

• MDL Number: MFCD22578736
• PubChem SID: 164299635
• PubChem CID: 71757327

CALCULATED PROPERTIES

• Acid pKa: 16.068586
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7006512
• LogD (pH = 7.4): -2.0144217
• Log P: -1.2257177
• Molar Refractivity: 29.9061 cm^3
• Polarizability: 11.589615 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.512

Product Information

• Purity: 95%