2-(azetidin-1-yl)ethan-1-amine

• ChemBase ID: 241580
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: N1(CCC1)CCN
• Canonical SMILES: NCCN1CCC1
• InChI: InChI=1S/C5H12N2/c6-2-5-7-3-1-4-7/h1-6H2
• InChIKey: RIHYLJLIMZMKTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(azetidin-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(azetidin-1-yl)ethanamine
• Synonyms: 2-(azetidin-1-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD19205720
• PubChem SID: 164297490
• PubChem CID: 15636950

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.9975553
• LogD (pH = 7.4): -2.8586617
• Log P: -0.71837956
• Molar Refractivity: 30.8343 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.235

Product Information

• Purity: 95%