octahydro-1-benzofuran-4-amine

• ChemBase ID: 238186
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C12C(OCC2)CCCC1N
• Canonical SMILES: NC1CCCC2C1CCO2
• InChI: InChI=1S/C8H15NO/c9-7-2-1-3-8-6(7)4-5-10-8/h6-8H,1-5,9H2
• InChIKey: RPBKHWWRNPJZLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydro-1-benzofuran-4-amine
• IUPAC Traditional name: octahydro-1-benzofuran-4-amine
• Synonyms: octahydro-1-benzofuran-4-amine

Database IDs

• MDL Number: MFCD22375352
• PubChem SID: 164294096
• PubChem CID: 71756116

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6642232
• LogD (pH = 7.4): -2.3593645
• Log P: 0.3632163
• Molar Refractivity: 39.9949 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.465

Product Information

• Purity: 95%