3-phenylcyclopentan-1-amine hydrochloride

• ChemBase ID: 243711
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC(N)CC1)c1ccccc1.Cl
• Canonical SMILES: NC1CCC(C1)c1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c12-11-7-6-10(8-11)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,12H2;1H
• InChIKey: VDYUPMITEAILSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylcyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 3-phenylcyclopentan-1-amine hydrochloride
• Synonyms: 3-phenylcyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD01735276
• PubChem SID: 164299621
• PubChem CID: 3044077

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8754567
• LogD (pH = 7.4): -0.5029398
• Log P: 2.1500661
• Molar Refractivity: 50.9756 cm^3
• Polarizability: 20.312172 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C
• Hydrophobicity(logP): 2.216

Product Information

• Purity: 95%