2-(pyrrolidin-1-ylmethyl)pyrrolidine dihydrochloride

• ChemBase ID: 48206
• Molecular Formular: C9H20Cl2N2
• Molecular Mass: 227.1745
• Monoisotopic Mass: 226.10035401
• SMILES: N1(CC2NCCC2)CCCC1.Cl.Cl
• Canonical SMILES: C1CCN(C1)CC1CCCN1.Cl.Cl
• InChI: InChI=1S/C9H18N2.2ClH/c1-2-7-11(6-1)8-9-4-3-5-10-9;;/h9-10H,1-8H2;2*1H
• InChIKey: DVFQATZCZLRXCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidin-1-ylmethyl)pyrrolidine dihydrochloride
• IUPAC Traditional name: 2-(pyrrolidin-1-ylmethyl)pyrrolidine dihydrochloride
• Synonyms: 1-(2-Pyrrolidinylmethyl)pyrrolidine dihydrochloride

Database IDs

• MDL Number: MFCD13561746
• PubChem SID: 162052969
• PubChem CID: 56831760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.535761
• LogD (pH = 7.4): -2.7264926
• Log P: 0.69712806
• Molar Refractivity: 47.4647 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false