morpholine-2-carboxamide

• ChemBase ID: 266301
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C(=O)(C1OCCNC1)N
• Canonical SMILES: NC(=O)C1CNCCO1
• InChI: InChI=1S/C5H10N2O2/c6-5(8)4-3-7-1-2-9-4/h4,7H,1-3H2,(H2,6,8)
• InChIKey: LSNOAQQZECGQNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-2-carboxamide
• IUPAC Traditional name: morpholine-2-carboxamide
• Synonyms: morpholine-2-carboxamide; 2-morpholinecarboxamide

Database IDs

• CAS Number: 135072-13-8
• MDL Number: MFCD15209643
• PubChem SID: 164322211
• PubChem CID: 15955786

CALCULATED PROPERTIES

• Acid pKa: 15.743423
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.7223828
• LogD (pH = 7.4): -2.0258245
• Log P: -1.528382
• Molar Refractivity: 31.42 cm^3
• Polarizability: 12.694801 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): -1.48

Product Information

• Purity: 95%