4-amino-1-methylpiperidin-2-one hydrochloride

• ChemBase ID: 63258
• Molecular Formular: C6H13ClN2O
• Molecular Mass: 164.63322
• Monoisotopic Mass: 164.07164073
• SMILES: CN1C(=O)CC(CC1)N.Cl
• Canonical SMILES: NC1CCN(C(=O)C1)C.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c1-8-3-2-5(7)4-6(8)9;/h5H,2-4,7H2,1H3;1H
• InChIKey: YWKDSIRYNGGSHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-methylpiperidin-2-one hydrochloride
• IUPAC Traditional name: 4-amino-1-methylpiperidin-2-one hydrochloride
• Synonyms: 4-Amino-1-methyl-piperidin-2-one hydrochloride; 4-Amino-1-methylpiperidin-2-one hydrochloride

Database IDs

• CAS Number: 1373223-45-0; 90673-40-8
• MDL Number: MFCD17015881
• PubChem SID: 162028997
• PubChem CID: 52911266

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.290516
• LogD (pH = 7.4): -3.2226474
• Log P: -1.3218515
• Molar Refractivity: 34.885 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%