cyclopentylmethanamine hydrochloride

• ChemBase ID: 64966
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1CC(CC1)CN.Cl
• Canonical SMILES: NCC1CCCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c7-5-6-3-1-2-4-6;/h6H,1-5,7H2;1H
• InChIKey: MSXJLEPWWWZERM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmethanamine hydrochloride
• IUPAC Traditional name: cyclopentylmethanamine hydrochloride
• Synonyms: Cyclopentanemethylamine hydrochloride; Aminomethylcyclopentane hydrochloride; 1-cyclopentylmethanamine hydrochloride

Database IDs

• CAS Number: 58714-85-5
• MDL Number: MFCD07403659
• PubChem SID: 162030705
• PubChem CID: 18784136

CALCULATED PROPERTIES

• Log P: 1.0442557
• Molar Refractivity: 31.0628 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9800338
• LogD (pH = 7.4): -1.5691254

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 1.427

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%