ethyl(prop-2-yn-1-yl)amine hydrochloride

• ChemBase ID: 263218
• Molecular Formular: C5H10ClN
• Molecular Mass: 119.5926
• Monoisotopic Mass: 119.05017701
• SMILES: C(#C)CNCC.Cl
• Canonical SMILES: CCNCC#C.Cl
• InChI: InChI=1S/C5H9N.ClH/c1-3-5-6-4-2;/h1,6H,4-5H2,2H3;1H
• InChIKey: QOTNDIHNEOASSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(prop-2-yn-1-yl)amine hydrochloride
• IUPAC Traditional name: ethyl(prop-2-yn-1-yl)amine hydrochloride
• Synonyms: ethyl(prop-2-yn-1-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD13196016
• PubChem SID: 164319128
• PubChem CID: 45792275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7449267
• LogD (pH = 7.4): -1.4982126
• Log P: 0.39201254
• Molar Refractivity: 27.0222 cm^3
• Polarizability: 10.386352 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.611

Product Information

• Purity: 95%