3-cyclopentylpropan-1-amine hydrochloride

• ChemBase ID: 261977
• Molecular Formular: C8H18ClN
• Molecular Mass: 163.68822
• Monoisotopic Mass: 163.11277726
• SMILES: Cl.NCCCC1CCCC1
• Canonical SMILES: NCCCC1CCCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c9-7-3-6-8-4-1-2-5-8;/h8H,1-7,9H2;1H
• InChIKey: LVJNEPGKYMNYGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913042
• PubChem SID: 164317887
• PubChem CID: 45791946

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1685425
• LogD (pH = 7.4): -0.7485815
• Log P: 1.8554393
• Molar Refractivity: 40.3418 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): 2.485

Product Information

• Purity: 95%