1-(2-aminoethyl)pyrrolidine-2,5-dione hydrochloride

• ChemBase ID: 55219
• Molecular Formular: C6H11ClN2O2
• Molecular Mass: 178.61674
• Monoisotopic Mass: 178.05090528
• SMILES: N1(C(=O)CCC1=O)CCN.Cl
• Canonical SMILES: NCCN1C(=O)CCC1=O.Cl
• InChI: InChI=1S/C6H10N2O2.ClH/c7-3-4-8-5(9)1-2-6(8)10;/h1-4,7H2;1H
• InChIKey: GFHCMTWJVSMLHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)pyrrolidine-2,5-dione hydrochloride
• IUPAC Traditional name: 1-(2-aminoethyl)pyrrolidine-2,5-dione hydrochloride
• Synonyms: 1-(2-Aminoethyl)pyrrolidine-2,5-dione hydrochloride

Database IDs

• CAS Number: 25660-19-9
• MDL Number: MFCD13461783
• PubChem SID: 162059982
• PubChem CID: 50998294

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5040345
• LogD (pH = 7.4): -3.2929854
• Log P: -1.5667793
• Molar Refractivity: 35.1279 cm^3
• Polarizability: 13.913425 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): -1.04

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%