3-oxabicyclo[3.1.0]hexan-6-amine

• ChemBase ID: 243824
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: C12C(C1N)COC2
• Canonical SMILES: NC1C2C1COC2
• InChI: InChI=1S/C5H9NO/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H2
• InChIKey: UVMHKNOMRGEMLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-oxabicyclo[3.1.0]hexan-6-amine
• IUPAC Traditional name: 3-oxabicyclo[3.1.0]hexan-6-amine
• Synonyms: 3-oxabicyclo[3.1.0]hexan-6-amine

Database IDs

• MDL Number: MFCD13193582
• PubChem SID: 164299734
• PubChem CID: 52988031

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.074476
• LogD (pH = 7.4): -3.4697623
• Log P: -1.0584888
• Molar Refractivity: 26.2229 cm^3
• Polarizability: 10.704033 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.489

Product Information

• Purity: 95%