1-(3-aminoazetidin-1-yl)ethan-1-one

• ChemBase ID: 279190
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: N1(C(=O)C)CC(C1)N
• Canonical SMILES: NC1CN(C1)C(=O)C
• InChI: InChI=1S/C5H10N2O/c1-4(8)7-2-5(6)3-7/h5H,2-3,6H2,1H3
• InChIKey: YUJHTWYBKVAQEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminoazetidin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-(3-aminoazetidin-1-yl)ethanone
• Synonyms: 1-(3-aminoazetidin-1-yl)ethan-1-one

Database IDs

• MDL Number: MFCD18610184
• PubChem SID: 164335100
• PubChem CID: 54527850

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.325933
• LogD (pH = 7.4): -2.8690758
• Log P: -1.4916779
• Molar Refractivity: 29.9103 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.76

Product Information

• Purity: 95%