2,5-diethoxy-4-(morpholin-4-yl)aniline

• ChemBase ID: 91910
• Molecular Formular: C14H22N2O3
• Molecular Mass: 266.33608
• Monoisotopic Mass: 266.16304257
• SMILES: Nc1c(cc(c(c1)OCC)N1CCOCC1)OCC
• Canonical SMILES: CCOc1cc(N2CCOCC2)c(cc1N)OCC
• InChI: InChI=1S/C14H22N2O3/c1-3-18-13-10-12(16-5-7-17-8-6-16)14(19-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3
• InChIKey: DDCBPJKVWMBNCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diethoxy-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: 2,5-diethoxy-4-(morpholin-4-yl)aniline
• Synonyms: N-(4-Amino-2,5-diethoxyphenyl)morpholine; 2,5-Diethoxy-4-(morpholin-4-yl)aniline; 2,5-diethoxy-4-morpholin-4-ylaniline

Database IDs

• CAS Number: 51963-82-7
• MDL Number: MFCD02052680
• PubChem SID: 162078608
• PubChem CID: 98599

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2046776
• LogD (pH = 7.4): 1.4283749
• Log P: 1.4321367
• Molar Refractivity: 76.6851 cm^3
• Polarizability: 28.66466 Å^3
• Polar Surface Area: 56.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 240°C; 93-96°C
• Density: 1.13
• Hydrophobicity(logP): 2.098

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold

Product Information

• Purity: 95%