4-(2-methoxyethoxy)aniline

• ChemBase ID: 20107
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1(N)ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)N
• InChI: InChI=1S/C9H13NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3
• InChIKey: DIOBEQCFVVJJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 33311-29-4
• MDL Number: MFCD03004838
• PubChem SID: 160983414
• PubChem CID: 3879885

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8056453
• LogD (pH = 7.4): 0.9376969
• Log P: 0.93967307
• Molar Refractivity: 48.2651 cm^3
• Polarizability: 18.359175 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.754

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%