2-pentylpyrrolidine hydrochloride

• ChemBase ID: 240540
• Molecular Formular: C9H20ClN
• Molecular Mass: 177.7148
• Monoisotopic Mass: 177.12842733
• SMILES: N1C(CCCCC)CCC1.Cl
• Canonical SMILES: CCCCCC1CCCN1.Cl
• InChI: InChI=1S/C9H19N.ClH/c1-2-3-4-6-9-7-5-8-10-9;/h9-10H,2-8H2,1H3;1H
• InChIKey: DKMMWSSJEKCVDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-pentylpyrrolidine hydrochloride
• IUPAC Traditional name: 2-pentylpyrrolidine hydrochloride
• Synonyms: 2-pentylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22392165
• PubChem SID: 164296450
• PubChem CID: 71756577

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.75558656
• LogD (pH = 7.4): -0.70306
• Log P: 2.4857223
• Molar Refractivity: 44.9802 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 3.011

Product Information

• Purity: 95%