N-(2-aminoethyl)cyclopentanecarboxamide hydrochloride

• ChemBase ID: 266891
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(C1CCCC1)NCCN.Cl
• Canonical SMILES: NCCNC(=O)C1CCCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c9-5-6-10-8(11)7-3-1-2-4-7;/h7H,1-6,9H2,(H,10,11);1H
• InChIKey: XFMCVCUQPGFXFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)cyclopentanecarboxamide hydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)cyclopentanecarboxamide hydrochloride
• Synonyms: N-(2-aminoethyl)cyclopentanecarboxamide hydrochloride

Database IDs

• MDL Number: MFCD16040088
• PubChem SID: 164322801
• PubChem CID: 47002864

CALCULATED PROPERTIES

• LogD (pH = 5.5): -2.8764691
• LogD (pH = 7.4): -1.6827791
• Log P: 0.06533748
• Molar Refractivity: 43.9136 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.176123
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): 0.141

Product Information

• Purity: 95%