4-[2-(morpholin-4-yl)ethoxy]aniline

• ChemBase ID: 50907
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: N1(CCOc2ccc(N)cc2)CCOCC1
• Canonical SMILES: Nc1ccc(cc1)OCCN1CCOCC1
• InChI: InChI=1S/C12H18N2O2/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1-4H,5-10,13H2
• InChIKey: ZHFFNLQQANCJEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(morpholin-4-yl)ethoxy]aniline
• IUPAC Traditional name: 4-[2-(morpholin-4-yl)ethoxy]aniline
• Synonyms: 4-(2-morpholin-4-ylethoxy)aniline; 1-[2-(4-Aminophenoxy)ethyl]morpholine; 4-[(2-Morpholin-4-yl)ethoxy]aniline 97%; 4-(2-Morpholin-4-yl-ethoxy)-phenylamine; 4-[2-(4-Morpholinyl)ethoxy]aniline; 4-[2-(4-吗啉基)乙氧基]苯胺

Database IDs

• CAS Number: 52481-41-1
• MDL Number: MFCD04970981
• PubChem SID: 162055670
• PubChem CID: 6484711

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5847712
• LogD (pH = 7.4): 0.6921061
• Log P: 0.7867927
• Molar Refractivity: 64.3152 cm^3
• Polarizability: 24.682066 Å^3
• Polar Surface Area: 47.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-56°C
• Partition Coefficient: 0.633

Safety Information

• Storage Warning: Air Sensitive; Corrosive; IRRITANT
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 96%; 97%