oxan-3-amine

• ChemBase ID: 63856
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1COCC(C1)N
• Canonical SMILES: NC1CCCOC1
• InChI: InChI=1S/C5H11NO/c6-5-2-1-3-7-4-5/h5H,1-4,6H2
• InChIKey: WUUOEJJGRCQGBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxan-3-amine
• IUPAC Traditional name: oxan-3-amine
• Synonyms: Tetrahydro-2H-pyran-3-amine; oxan-3-amine; Tetrahydro-pyran-3-ylamine

Database IDs

• CAS Number: 120811-32-7
• MDL Number: MFCD07371531
• PubChem SID: 162029595
• PubChem CID: 5200320

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.212802
• LogD (pH = 7.4): -2.454153
• Log P: -0.20686984
• Molar Refractivity: 28.1735 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.275

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 96%; 98%