2-methyl-1-benzofuran-5-amine hydrochloride

• ChemBase ID: 24012
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: o1c(cc2c1ccc(c2)N)C.Cl
• Canonical SMILES: Nc1ccc2c(c1)cc(o2)C.Cl
• InChI: InChI=1S/C9H9NO.ClH/c1-6-4-7-5-8(10)2-3-9(7)11-6;/h2-5H,10H2,1H3;1H
• InChIKey: MDVOJFDJZLPIKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-benzofuran-5-amine hydrochloride
• IUPAC Traditional name: 2-methyl-1-benzofuran-5-amine hydrochloride
• Synonyms: 2-Methyl-benzofuran-5-ylamine hydrochloride

Database IDs

• CAS Number: 23968-37-8
• MDL Number: MFCD00035194
• PubChem SID: 160987319
• PubChem CID: 21696866

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4986678
• LogD (pH = 7.4): 1.5029497
• Log P: 1.5030046
• Molar Refractivity: 44.7492 cm^3
• Polarizability: 17.63335 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false