2-chloro-4,5-dimethoxyaniline hydrochloride

• ChemBase ID: 254710
• Molecular Formular: C8H11Cl2NO2
• Molecular Mass: 224.08444
• Monoisotopic Mass: 223.01668396
• SMILES: c1c(c(cc(c1OC)OC)Cl)N.Cl
• Canonical SMILES: COc1cc(Cl)c(cc1OC)N.Cl
• InChI: InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;/h3-4H,10H2,1-2H3;1H
• InChIKey: URBHLUDGKCEVLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-dimethoxyaniline hydrochloride
• IUPAC Traditional name: 2-chloro-4,5-dimethoxyaniline hydrochloride
• Synonyms: 2-chloro-4,5-dimethoxyaniline hydrochloride

Database IDs

• MDL Number: MFCD09971357
• PubChem SID: 164310620
• PubChem CID: 24245122

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4313065
• LogD (pH = 7.4): 1.4330003
• Log P: 1.433022
• Molar Refractivity: 48.4896 cm^3
• Polarizability: 18.410265 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.549

Product Information

• Purity: 95%