oxetan-3-amine

• ChemBase ID: 52875
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: NC1COC1
• Canonical SMILES: NC1COC1
• InChI: InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
• InChIKey: OJEOJUQOECNDND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxetan-3-amine
• IUPAC Traditional name: oxetan-3-amine
• Synonyms: Oxetan-3-ylamine; 3-Oxetanamine; 3-Aminooxetane; oxetan-3-amine

Database IDs

• CAS Number: 21635-88-1
• MDL Number: MFCD08544363
• PubChem SID: 162057638
• PubChem CID: 9833923

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6047873
• LogD (pH = 7.4): -2.1276362
• Log P: -0.78419226
• Molar Refractivity: 18.6635 cm^3
• Polarizability: 7.7528024 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 99°C
• Flash Point: 24°C(75°F)
• Density: 1.05
• Hydrophobicity(logP): -0.637

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%