2-amino-1-(piperidin-1-yl)ethan-1-one

• ChemBase ID: 14664
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CN)CCCCC1
• Canonical SMILES: NCC(=O)N1CCCCC1
• InChI: InChI=1S/C7H14N2O/c8-6-7(10)9-4-2-1-3-5-9/h1-6,8H2
• InChIKey: MVQXQAOYDOPPEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 2-amino-1-(piperidin-1-yl)ethanone
• Synonyms: 2-Amino-1-piperidin-1-yl-ethanone; 2-oxo-2-piperidin-1-ylethanamine

Database IDs

• CAS Number: 5437-48-9
• MDL Number: MFCD05237223
• PubChem SID: 160977971
• PubChem CID: 408822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1446283
• LogD (pH = 7.4): -1.4605451
• Log P: -0.6566999
• Molar Refractivity: 39.761 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.261

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%