4-(morpholin-4-yl)aniline

• ChemBase ID: 34708
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1(c2ccc(N)cc2)CCOCC1
• Canonical SMILES: Nc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C10H14N2O/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
• InChIKey: PHNDZBFLOPIMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)aniline
• IUPAC Traditional name: 4-(morpholin-4-yl)aniline
• Synonyms: 4-(4-Aminophenyl)morpholine; 4-Morpholinoaniline; 4-(4-Morpholinyl)aniline; 4-Morpholin-4-ylaniline; N-(4-Aminophenyl)morpholine; 4-morpholinoaniline; 4-Morpholin-4-yl-phenylamine; 4-Morpholinoaniline; 4-4-吗啉-3-苯胺; 4-吗啉基苯胺

Database IDs

• CAS Number: 2524-67-6
• EC Number: 219-760-1
• MDL Number: MFCD00006169
• Beilstein Number: 150957
• PubChem SID: 24851338; 160998015
• PubChem CID: 75655

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.522692
• LogD (pH = 7.4): 1.021608
• Log P: 1.0338633
• Molar Refractivity: 54.2615 cm^3
• Polarizability: 19.934528 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129-133°C; 132-135 °C(lit.); 132-135°C
• Partition Coefficient: 0.715

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22; 36/37/38
• Safety Statements: 26-37/39; 36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; 95+%; 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C10H14N2O

DETAILS

Sigma Aldrich - 197157

Packaging
5 g in glass bottle