N-ethylcyclopentanamine hydrochloride

• ChemBase ID: 23641
• Molecular Formular: C7H16ClN
• Molecular Mass: 149.66164
• Monoisotopic Mass: 149.0971272
• SMILES: N(C1CCCC1)CC.Cl
• Canonical SMILES: CCNC1CCCC1.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-2-8-7-5-3-4-6-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: ZVPOLHUNQBAUME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylcyclopentanamine hydrochloride
• IUPAC Traditional name: N-ethylcyclopentanamine hydrochloride
• Synonyms: N-Ethylcyclopentanamine hydrochloride; N-Cyclopentyl-N-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD09878552
• PubChem SID: 160986948
• PubChem CID: 19608610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.719105
• LogD (pH = 7.4): -1.4711972
• Log P: 1.5186313
• Molar Refractivity: 35.8552 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H16ClN

DETAILS

Sigma Aldrich - CBR00868

Other Notes
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Legal Information
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