4-(2-methoxyethoxy)-2-methylaniline hydrochloride

• ChemBase ID: 20490
• Molecular Formular: C10H16ClNO2
• Molecular Mass: 217.69254
• Monoisotopic Mass: 217.08695644
• SMILES: c1(c(ccc(c1)OCCOC)N)C.Cl
• Canonical SMILES: COCCOc1ccc(c(c1)C)N.Cl
• InChI: InChI=1S/C10H15NO2.ClH/c1-8-7-9(3-4-10(8)11)13-6-5-12-2;/h3-4,7H,5-6,11H2,1-2H3;1H
• InChIKey: REBREUBSWFGLTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)-2-methylaniline hydrochloride
• IUPAC Traditional name: 4-(2-methoxyethoxy)-2-methylaniline hydrochloride
• Synonyms: 4-(2-Methoxyethoxy)-2-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD09997933
• PubChem SID: 160983797
• PubChem CID: 45791606

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.348037
• LogD (pH = 7.4): 1.4515984
• Log P: 1.4530945
• Molar Refractivity: 53.3063 cm^3
• Polarizability: 20.12321 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133 - 135°C
• Hydrophobicity(logP): 1.203

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%