3,3-diethylpyrrolidine

• ChemBase ID: 58152
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1C(CCN1)(CC)CC
• Canonical SMILES: CCC1(CC)CNCC1
• InChI: InChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3
• InChIKey: MHFVZMTVFSGIBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diethylpyrrolidine
• IUPAC Traditional name: 3,3-diethylpyrrolidine
• Synonyms: 3,3-Diethylpyrrolidine

Database IDs

• CAS Number: 34971-71-6
• MDL Number: MFCD09802322
• PubChem SID: 162062915
• PubChem CID: 19090605

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3957907
• LogD (pH = 7.4): -1.3106629
• Log P: 1.84503
• Molar Refractivity: 40.3061 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.472

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%