3-(pyrrolidin-1-yl)pyrrolidine dihydrochloride

• ChemBase ID: 48034
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: N1(C2CCNC2)CCCC1.Cl.Cl
• Canonical SMILES: C1NCC(C1)N1CCCC1.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c1-2-6-10(5-1)8-3-4-9-7-8;;/h8-9H,1-7H2;2*1H
• InChIKey: BLXKBIQXWILCIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-1-yl)pyrrolidine dihydrochloride
• IUPAC Traditional name: 3-(pyrrolidin-1-yl)pyrrolidine dihydrochloride
• Synonyms: 3-(1-Pyrrolidinyl)pyrrolidine dihydrochloride

Database IDs

• MDL Number: MFCD13561579
• PubChem SID: 162052797
• PubChem CID: 53409167

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false