2-(ethoxymethyl)pyrrolidine

• ChemBase ID: 15409
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(COCC)CCC1
• Canonical SMILES: CCOCC1CCCN1
• InChI: InChI=1S/C7H15NO/c1-2-9-6-7-4-3-5-8-7/h7-8H,2-6H2,1H3
• InChIKey: FRXBWKFANYNBEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethoxymethyl)pyrrolidine
• IUPAC Traditional name: 2-(ethoxymethyl)pyrrolidine
• Synonyms: 2-(Ethoxymethyl)pyrrolidine

Database IDs

• CAS Number: 883538-81-6
• MDL Number: MFCD06247379
• PubChem SID: 160978716
• PubChem CID: 21061948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6544836
• LogD (pH = 7.4): -2.3755426
• Log P: 0.5825185
• Molar Refractivity: 37.6967 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false