3-(2-methoxyethoxy)aniline

• ChemBase ID: 21933
• Molecular Formular: C9H13NO2
• Molecular Mass: 167.20502
• Monoisotopic Mass: 167.09462866
• SMILES: c1c(N)cccc1OCCOC
• Canonical SMILES: COCCOc1cccc(c1)N
• InChI: InChI=1S/C9H13NO2/c1-11-5-6-12-9-4-2-3-8(10)7-9/h2-4,7H,5-6,10H2,1H3
• InChIKey: RNNUSMIPHMAFKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethoxy)aniline
• IUPAC Traditional name: 3-(2-methoxyethoxy)aniline
• Synonyms: 3-(2-Methoxyethoxy)aniline

Database IDs

• CAS Number: 110178-35-3
• MDL Number: MFCD08691445
• PubChem SID: 160985240
• PubChem CID: 16640686

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9271272
• LogD (pH = 7.4): 0.93951285
• Log P: 0.93967307
• Molar Refractivity: 48.2651 cm^3
• Polarizability: 18.360353 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%