1-(1-benzofuran-6-yl)propan-2-amine

• ChemBase ID: 125510
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: NC(C)Cc1cc2occc2cc1
• Canonical SMILES: CC(Cc1ccc2c(c1)occ2)N
• InChI: InChI=1S/C11H13NO/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-5,7-8H,6,12H2,1H3
• InChIKey: FQDAMYLMQQKPRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-6-yl)propan-2-amine
• IUPAC Traditional name: 6-apb
• Synonyms: 6-APB; 6-(2-aminopropyl)benzofuran

Database IDs

• CAS Number: 286834-85-3
• PubChem SID: 162219860
• PubChem CID: 9794343
• Chemspider ID: 7970110
• Wikipedia Title: 6-APB

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0540444
• LogD (pH = 7.4): -0.47689357
• Log P: 1.9633739
• Molar Refractivity: 52.5463 cm^3
• Polarizability: 21.736076 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%