8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-amine hydrochloride

• ChemBase ID: 24176
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: c12c3c(oc1cc(cc2)N)cccc3.Cl
• Canonical SMILES: Nc1ccc2c(c1)oc1c2cccc1.Cl
• InChI: InChI=1S/C12H9NO.ClH/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;/h1-7H,13H2;1H
• InChIKey: IVINWYJZLOTUFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-5-amine hydrochloride; 8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-5-amine hydrochloride
• IUPAC Traditional name: 3-aminodibenzofuran hydrochloride
• Synonyms: 8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-5-amine hydrochloride; Dibenzofuran-3-ylamine hydrochloride

Database IDs

• MDL Number: MFCD00136984
• PubChem SID: 160987483
• PubChem CID: 11958719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.32149
• LogD (pH = 7.4): 2.3223107
• Log P: 2.3223212
• Molar Refractivity: 55.9272 cm^3
• Polarizability: 23.504782 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242 - 244°C
• Hydrophobicity(logP): 2.859

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%