ethyl[2-(pyrrolidin-1-yl)ethyl]amine

• ChemBase ID: 55918
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(CCNCC)CCCC1
• Canonical SMILES: CCNCCN1CCCC1
• InChI: InChI=1S/C8H18N2/c1-2-9-5-8-10-6-3-4-7-10/h9H,2-8H2,1H3
• InChIKey: FBYCSNRISIMKFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(pyrrolidin-1-yl)ethyl]amine
• IUPAC Traditional name: ethyl[2-(pyrrolidin-1-yl)ethyl]amine
• Synonyms: N-Ethyl-2-pyrrolidin-1-ylethanamine; N-Ethyl-2-pyrrolidin-1-ylethanamine

Database IDs

• CAS Number: 138356-55-5
• MDL Number: MFCD08361605
• PubChem SID: 162060681
• PubChem CID: 15113276

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.192431
• LogD (pH = 7.4): -2.1432576
• Log P: 0.58837146
• Molar Refractivity: 45.0021 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H18N2

DETAILS

Sigma Aldrich - CBR00390

Other Notes
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Legal Information
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