hydrogen 3-aminopiperidine-2,6-dione chloride

• ChemBase ID: 288226
• Molecular Formular: C5H8ClN2O2-
• Molecular Mass: 163.58222
• Monoisotopic Mass: 163.02743019
• SMILES: C1C(N)C(=O)NC(=O)C1.[Cl-]
• Canonical SMILES: NC1CCC(=O)NC1=O.[Cl-]
• InChI: InChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H/p-1
• InChIKey: YCPULGHBTPQLRH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 3-aminopiperidine-2,6-dione chloride
• IUPAC Traditional name: hydrogen 3-aminopiperidine-2,6-dione chloride
• Synonyms: 3-Aminopiperidine-2,6-dione hydrochloride

Database IDs

• CAS Number: 24666-56-6
• MDL Number: MFCD11042437
• PubChem SID: 180673757
• PubChem CID: 22455952

CALCULATED PROPERTIES

• Acid pKa: 11.622135
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.758086
• LogD (pH = 7.4): -1.6078079
• Log P: -1.5268506
• Molar Refractivity: 30.0321 cm^3
• Polarizability: 12.091151 Å^3
• Polar Surface Area: 72.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%