3-(azetidin-1-yl)propan-1-amine

• ChemBase ID: 245586
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CCC1)CCCN
• Canonical SMILES: NCCCN1CCC1
• InChI: InChI=1S/C6H14N2/c7-3-1-4-8-5-2-6-8/h1-7H2
• InChIKey: YFZGXSSOURPKGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(azetidin-1-yl)propan-1-amine
• IUPAC Traditional name: 3-(azetidin-1-yl)propan-1-amine
• Synonyms: 3-(azetidin-1-yl)propan-1-amine

Database IDs

• MDL Number: MFCD19159572
• PubChem SID: 164301496
• PubChem CID: 15110479

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.3706083
• LogD (pH = 7.4): -4.1753864
• Log P: -0.6584198
• Molar Refractivity: 35.6997 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0050

Product Information

• Purity: 95%