1-(prop-2-yn-1-yl)pyrrolidine hydrochloride

• ChemBase ID: 243092
• Molecular Formular: C7H12ClN
• Molecular Mass: 145.62988
• Monoisotopic Mass: 145.06582707
• SMILES: C(#C)CN1CCCC1.Cl
• Canonical SMILES: C#CCN1CCCC1.Cl
• InChI: InChI=1S/C7H11N.ClH/c1-2-5-8-6-3-4-7-8;/h1H,3-7H2;1H
• InChIKey: WSIVWIVCDCGFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03596892
• PubChem SID: 164299002
• PubChem CID: 71757162

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.4317446
• LogD (pH = 7.4): -0.8971562
• Log P: 0.82404995
• Molar Refractivity: 35.1093 cm^3
• Polarizability: 13.338735 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 1.422

Product Information

• Purity: 95%