1-(2-aminoethoxy)-2-chlorobenzene

• ChemBase ID: 73754
• Molecular Formular: C8H10ClNO
• Molecular Mass: 171.6241
• Monoisotopic Mass: 171.04509163
• SMILES: O(c1c(cccc1)Cl)CCN
• Canonical SMILES: NCCOc1ccccc1Cl
• InChI: InChI=1S/C8H10ClNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2
• InChIKey: NAPNYPMMDVRKGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-2-chlorobenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-2-chlorobenzene
• Synonyms: [2-(2-chlorophenoxy)ethyl]amine; 2-(2-Chlorophenoxy)ethylamine; 2-(2-Chlorophenoxy)ethylamine; 2-(2-chlorophenoxy)ethanamine; 1-(2-aminoethoxy)-2-chlorobenzene; 2-(2-氯苯氧基)乙胺

Database IDs

• CAS Number: 26378-53-0
• MDL Number: MFCD00125294
• PubChem SID: 162038673
• PubChem CID: 2735788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.338957
• LogD (pH = 7.4): -0.23329097
• Log P: 1.6226354
• Molar Refractivity: 45.2758 cm^3
• Polarizability: 18.097486 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-40°C
• Boiling Point: 115-117°C/5mm; 150-153°C/18mm
• Partition Coefficient: 1.536
• Hydrophobicity(logP): 1.885

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive
• 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: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 95+%; 97%