1-benzofuran-5-ylmethanamine

• ChemBase ID: 75951
• Molecular Formular: C9H9NO
• Molecular Mass: 147.17386
• Monoisotopic Mass: 147.06841391
• SMILES: o1c2c(cc(cc2)CN)cc1
• Canonical SMILES: NCc1ccc2c(c1)cco2
• InChI: InChI=1S/C9H9NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
• InChIKey: OFMIMSPBHXZKRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-5-ylmethanamine
• IUPAC Traditional name: 1-benzofuran-5-ylmethanamine
• Synonyms: 1-benzofuran-5-ylmethylamine; (Benzo[b]furan-5-yl)methylamine; 5-(Aminomethyl)benzo[b]furan 97%

Database IDs

• CAS Number: 37798-08-6
• MDL Number: MFCD04974039
• PubChem SID: 162040869
• PubChem CID: 2795182

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7148286
• LogD (pH = 7.4): -0.6720724
• Log P: 1.2581377
• Molar Refractivity: 43.3725 cm^3
• Polarizability: 18.122597 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-34°C

Safety Information

• Storage Warning: Corrosive/Hygroscopic/Store under Argon

Product Information

• Purity: 97%