3-(pyrrolidin-1-yl)pyrrolidine

• ChemBase ID: 34564
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1CC(CC1)N1CCCC1
• Canonical SMILES: C1NCC(C1)N1CCCC1
• InChI: InChI=1S/C8H16N2/c1-2-6-10(5-1)8-3-4-9-7-8/h8-9H,1-7H2
• InChIKey: HFZLSTDPRQSZCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-yl)pyrrolidine
• IUPAC Traditional name: 3-(pyrrolidin-1-yl)pyrrolidine
• Synonyms: 1,3'-Bipyrrolidine; 3-(pyrrolidin-1-yl)pyrrolidine

Database IDs

• CAS Number: 267241-99-6
• MDL Number: MFCD06740353
• PubChem SID: 160997871
• PubChem CID: 14627375

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.869088
• LogD (pH = 7.4): -3.0962296
• Log P: 0.17976539
• Molar Refractivity: 42.8201 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.015

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%