1-[(2R)-pyrrolidin-2-ylmethyl]pyrrolidine

• ChemBase ID: 66344
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CCCC1)C[C@@H]1NCCC1
• Canonical SMILES: C1CCN(C1)C[C@H]1CCCN1
• InChI: InChI=1S/C9H18N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h9-10H,1-8H2/t9-/m1/s1
• InChIKey: YLBWRMSQRFEIEB-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2R)-pyrrolidin-2-ylmethyl]pyrrolidine; (2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• IUPAC Traditional name: 1-[(2R)-pyrrolidin-2-ylmethyl]pyrrolidine; (2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• Synonyms: (R)-(-)-1-(2-Pyrrolidinylmethyl)pyrrolidine

Database IDs

• CAS Number: 60419-23-0
• MDL Number: MFCD04117879
• PubChem SID: 162032082
• PubChem CID: 853151

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

Product Information

• Purity: 95+%