1-(2-aminoethyl)piperidine-2,6-dione hydrochloride

• ChemBase ID: 283333
• Molecular Formular: C7H13ClN2O2
• Molecular Mass: 192.64332
• Monoisotopic Mass: 192.06655535
• SMILES: N1(C(=O)CCCC1=O)CCN.Cl
• Canonical SMILES: NCCN1C(=O)CCCC1=O.Cl
• InChI: InChI=1S/C7H12N2O2.ClH/c8-4-5-9-6(10)2-1-3-7(9)11;/h1-5,8H2;1H
• InChIKey: GGAPNBLDVRLPDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)piperidine-2,6-dione hydrochloride
• IUPAC Traditional name: 1-(2-aminoethyl)piperidine-2,6-dione hydrochloride
• Synonyms: 1-(2-aminoethyl)piperidine-2,6-dione hydrochloride

Database IDs

• MDL Number: MFCD20501983
• PubChem SID: 180668864
• PubChem CID: 54595730

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.059466
• LogD (pH = 7.4): -2.8484168
• Log P: -1.1222106
• Molar Refractivity: 39.7289 cm^3
• Polarizability: 15.7404175 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.481

Product Information

• Purity: 95%