3-(oxan-4-ylmethoxy)propan-1-amine

• ChemBase ID: 278185
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: O1CCC(COCCCN)CC1
• Canonical SMILES: NCCCOCC1CCOCC1
• InChI: InChI=1S/C9H19NO2/c10-4-1-5-12-8-9-2-6-11-7-3-9/h9H,1-8,10H2
• InChIKey: YUVCBNOSUHZGAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxan-4-ylmethoxy)propan-1-amine
• IUPAC Traditional name: 3-(oxan-4-ylmethoxy)propan-1-amine
• Synonyms: 3-(oxan-4-ylmethoxy)propan-1-amine

Database IDs

• MDL Number: MFCD16745398
• PubChem SID: 164334095
• PubChem CID: 53621939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2131479
• LogD (pH = 7.4): -2.7510836
• Log P: -0.19068779
• Molar Refractivity: 49.1212 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.094

Product Information

• Purity: 95%