2-amino-5-(morpholin-4-yl)benzamide

• ChemBase ID: 252929
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: c1(cc(N2CCOCC2)ccc1N)C(=O)N
• Canonical SMILES: NC(=O)c1cc(ccc1N)N1CCOCC1
• InChI: InChI=1S/C11H15N3O2/c12-10-2-1-8(7-9(10)11(13)15)14-3-5-16-6-4-14/h1-2,7H,3-6,12H2,(H2,13,15)
• InChIKey: SGEFKGVHJBBMBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-(morpholin-4-yl)benzamide
• IUPAC Traditional name: 2-amino-5-(morpholin-4-yl)benzamide
• Synonyms: 2-amino-5-(morpholin-4-yl)benzamide

Database IDs

• MDL Number: MFCD12406908
• PubChem SID: 164308839
• PubChem CID: 10560936

CALCULATED PROPERTIES

• Acid pKa: 14.988929
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5128931
• LogD (pH = 7.4): 0.5342247
• Log P: 0.5345036
• Molar Refractivity: 63.3399 cm^3
• Polarizability: 22.793392 Å^3
• Polar Surface Area: 81.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.227

Product Information

• Purity: 95%