3-Methoxydiphenylamine

• Catalog Number: ACM101166
• Product Name: 3-Methoxydiphenylamine
• CAS: 101-16-6
• Category: Heterocyclic Organic Compound
• IUPAC Name: 3-methoxy-N-phenylaniline
• Molecular Weight: 199.25
• Molecular Formula: C13H13NO
• Canonical SMILES: COC1=CC=CC(=C1)NC2=CC=CC=C2
• InChI: InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
• InChI Key: MKASXAGBWHIGCF-UHFFFAOYSA-N
• Melting Point: 71 °C
• Density: Air Sensitive
• Appearance: White to Orange to Green powder to crystal
• Storage: Store under inert gas
• Complexity: 177
• Covalently-Bonded Unit Count: 1
• EC Number: 202-921-5
• Exact Mass: 199.099714g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 15
• MDL Number: MFCD00008383
• Monoisotopic Mass: 199.099714g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 3
• Signal Word: Warning
• XLogP3: 3.4