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

• ChemBase ID: 13329
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: c1(ccc(c(c1)N)N1CCOCC1)Cl
• Canonical SMILES: Clc1ccc(c(c1)N)N1CCOCC1
• InChI: InChI=1S/C10H13ClN2O/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• InChIKey: UNDBLGNMBLCRNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(morpholin-4-yl)aniline
• IUPAC Traditional name: 5-chloro-2-(morpholin-4-yl)aniline
• Synonyms: 5-chloro-2-morpholinoaniline; 5-Chloro-2-morpholin-4-yl-phenylamine

Database IDs

• CAS Number: 90875-44-8
• MDL Number: MFCD02934447
• PubChem SID: 160976636
• PubChem CID: 846189

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6360779
• LogD (pH = 7.4): 1.6378849
• Log P: 1.637908
• Molar Refractivity: 59.0663 cm^3
• Polarizability: 21.807104 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false