1-(2-aminoethoxy)-3-methoxybenzene

• ChemBase ID: 51243
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1c(OC)cccc1OCCN
• Canonical SMILES: NCCOc1cccc(c1)OC
• InChI: InChI=1S/C9H13NO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,5-6,10H2,1H3
• InChIKey: MWOLPDQWBBJNJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-3-methoxybenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-3-methoxybenzene
• Synonyms: 2-(3-Methoxyphenoxy)ethanamine; 2-(m-Methoxyphenoxy)ethylamine

Database IDs

• CAS Number: 6487-86-1
• MDL Number: MFCD02598966
• PubChem SID: 162056006
• PubChem CID: 2794229

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1006784
• LogD (pH = 7.4): -0.99503976
• Log P: 0.8609195
• Molar Refractivity: 46.9342 cm^3
• Polarizability: 18.729496 Å^3
• Polar Surface Area: 44.48 Å^2

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Colorless to pale Yellow Oil
• Melting Point: Oil

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%