1-(2-aminoethyl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 15856
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: C1CC(=O)N(C1)CCN.Cl
• Canonical SMILES: NCCN1CCCC1=O.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c7-3-5-8-4-1-2-6(8)9;/h1-5,7H2;1H
• InChIKey: MDISFSCSRZPYDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(2-aminoethyl)pyrrolidin-2-one hydrochloride
• Synonyms: 1-(2-Aminoethyl)pyrrolidin-2-one hydrochloride

Database IDs

• CAS Number: 92885-03-5
• MDL Number: MFCD01687429
• PubChem SID: 160979163
• PubChem CID: 3022039

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.093186
• LogD (pH = 7.4): -2.8935287
• Log P: -1.152917
• Molar Refractivity: 35.1044 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false