1-(2-aminoethoxy)-2-methoxybenzene

• ChemBase ID: 24769
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(c(OCCN)cccc1)OC
• Canonical SMILES: NCCOc1ccccc1OC
• InChI: InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3
• InChIKey: CKJRKLKVCHMWLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-methoxybenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-methoxybenzene
• Synonyms: 2-(2-Methoxyphenoxy)ethylamine; 2-Amino-2'-methoxyphenetole; 2-(2-Methoxyphenoxy)ethylamine; 2-(2-Aminoethoxy)anisole; 2-(2-Methoxyphenoxy)ethanamine; 2-(2-甲氧基苯氧基)乙胺

Database IDs

• CAS Number: 1836-62-0
• MDL Number: MFCD00235185
• PubChem SID: 160988076
• PubChem CID: 1713005

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1006682
• LogD (pH = 7.4): -0.99497885
• Log P: 0.8609195
• Molar Refractivity: 46.9342 cm^3
• Polarizability: 18.731018 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98°C/0.4mm; 98°C/0.4mm
• Density: 1.11

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338

Product Information

• Purity: 97%