1-(4-chlorophenyl)cyclopentan-1-amine hydrochloride

• ChemBase ID: 267167
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: C1(c2ccc(cc2)Cl)(N)CCCC1.Cl
• Canonical SMILES: NC1(CCCC1)c1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C11H14ClN.ClH/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11;/h3-6H,1-2,7-8,13H2;1H
• InChIKey: GWANQHWNKPKGCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)cyclopentan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-chlorophenyl)cyclopentan-1-amine hydrochloride
• Synonyms: 1-(4-chlorophenyl)cyclopentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16040142
• PubChem SID: 164323077
• PubChem CID: 47002947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.03668867
• LogD (pH = 7.4): 0.524212
• Log P: 2.9815295
• Molar Refractivity: 55.639 cm^3
• Polarizability: 22.193275 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C
• Hydrophobicity(logP): 3.269

Product Information

• Purity: 95%