2-chloro-5-(morpholin-4-yl)aniline

• ChemBase ID: 312194
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: N1(c2cc(c(cc2)Cl)N)CCOCC1
• Canonical SMILES: Clc1ccc(cc1N)N1CCOCC1
• InChI: InChI=1S/C10H13ClN2O/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• InChIKey: JZCIHSSSIQADGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(morpholin-4-yl)aniline
• IUPAC Traditional name: 2-chloro-5-(morpholin-4-yl)aniline
• Synonyms: 2-chloro-5-(4-morpholinyl)aniline

Database IDs

• CAS Number: 915921-20-9
• MDL Number: MFCD08691846

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6354891
• LogD (pH = 7.4): 1.6378775
• Log P: 1.637908
• Molar Refractivity: 59.0663 cm^3
• Polarizability: 21.809237 Å^3
• Polar Surface Area: 38.49 Å^2