[1-(methoxymethyl)cyclopentyl]methanamine hydrochloride

• ChemBase ID: 55117
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: C1(CCCC1)(COC)CN.Cl
• Canonical SMILES: NCC1(CCCC1)COC.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-10-7-8(6-9)4-2-3-5-8;/h2-7,9H2,1H3;1H
• InChIKey: SCNYSYJSFFEXSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methoxymethyl)cyclopentyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(methoxymethyl)cyclopentyl]methanamine hydrochloride
• Synonyms: 1-[1-(Methoxymethyl)cyclopentyl]methanamine hydrochloride; {[1-(Methoxymethyl)cyclopentyl]methyl}amine hydrochloride

Database IDs

• MDL Number: MFCD18071224
• PubChem SID: 162059880
• PubChem CID: 53398890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2274446
• LogD (pH = 7.4): -1.5554183
• Log P: 0.78461194
• Molar Refractivity: 41.9868 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H18ClNO

DETAILS

Sigma Aldrich - CBR00880

Other Notes
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Legal Information
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