2-(cyclopent-1-en-1-yl)ethan-1-amine hydrochloride

• ChemBase ID: 242846
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1(=CCCC1)CCN.Cl
• Canonical SMILES: NCCC1=CCCC1.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-6-5-7-3-1-2-4-7;/h3H,1-2,4-6,8H2;1H
• InChIKey: QTOGYATXDIJKKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopent-1-en-1-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(cyclopent-1-en-1-yl)ethanamine hydrochloride
• Synonyms: 2-(cyclopent-1-en-1-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22578525
• PubChem SID: 164298756
• PubChem CID: 71757092

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0178232
• LogD (pH = 7.4): -1.5733426
• Log P: 1.0052912
• Molar Refractivity: 36.5908 cm^3
• Polarizability: 14.213848 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.472

Product Information

• Purity: 95%