2-(morpholin-4-yl)acetic acid

• ChemBase ID: 24653
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: N1(CC(=O)O)CCOCC1
• Canonical SMILES: OC(=O)CN1CCOCC1
• InChI: InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
• InChIKey: VIWZVFVJPXTXPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)acetic acid
• IUPAC Traditional name: morpholin-4-ylacetic acid
• Synonyms: Morpholin-4-ylacetic acid; 4-morpholinylacetic acid; 2-MORPHOLINEACETIC ACID; Morpholin-4-yl-acetic acid

Database IDs

• CAS Number: 180863-27-8; 3235-69-6
• MDL Number: MFCD07773080; MFCD00504633
• PubChem SID: 160987960
• PubChem CID: 438968

CALCULATED PROPERTIES

• Acid pKa: 2.9507053
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7001138
• LogD (pH = 7.4): -3.5250018
• Log P: -2.6728914
• Molar Refractivity: 35.1472 cm^3
• Polarizability: 13.865244 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%