4-methoxy-N-[(4-methoxyphenyl)methylidene]aniline

• ChemBase ID: 142065
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: COc1ccc(cc1)/C=N/c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/N=C/c1ccc(cc1)OC
• InChI: InChI=1S/C15H15NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-11H,1-2H3
• InChIKey: ZDOHZYPZEUJYKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-[(4-methoxyphenyl)methylidene]aniline
• IUPAC Traditional name: 4-methoxy-N-[(4-methoxyphenyl)methylidene]aniline
• Synonyms: 4-Methoxy-N-(4-methoxybenzylidene)aniline; N-(4-Methoxybenzylidene)-4-anisidine; N-(4-Methoxybenzylidene)-4-methoxyaniline; 4-甲氧基-N-(4-甲氧基亚苄基)苯胺; N-(4-甲氧基亚苄基)-4-茴香胺; N-(4-甲氧基亚苄基)-4-甲氧基苯胺

Database IDs

• CAS Number: 1749-08-2
• MDL Number: MFCD00025800
• PubChem SID: 162236296; 24883402
• PubChem CID: 262164

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5303428
• LogD (pH = 7.4): 3.5321412
• Log P: 3.532164
• Molar Refractivity: 74.314 cm^3
• Polarizability: 27.501722 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-150 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41-43
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H15NO2

DETAILS

Sigma Aldrich - 645826

Packaging
1 g in glass bottle