2-(morpholin-4-yl)ethyl 2-chloroacetate

• ChemBase ID: 35802
• Molecular Formular: C8H14ClNO3
• Molecular Mass: 207.65466
• Monoisotopic Mass: 207.06622099
• SMILES: N1(CCOC(=O)CCl)CCOCC1
• Canonical SMILES: ClCC(=O)OCCN1CCOCC1
• InChI: InChI=1S/C8H14ClNO3/c9-7-8(11)13-6-3-10-1-4-12-5-2-10/h1-7H2
• InChIKey: BQPCPSUYJYODLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)ethyl 2-chloroacetate
• IUPAC Traditional name: 2-(morpholin-4-yl)ethyl 2-chloroacetate
• Synonyms: 2-Morpholin-4-ylethyl chloroacetate

Database IDs

• MDL Number: MFCD03856577
• PubChem SID: 160999109
• PubChem CID: 1080498

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.042996433
• LogD (pH = 7.4): 0.2545513
• Log P: 0.26003623
• Molar Refractivity: 49.2596 cm^3
• Polarizability: 19.648924 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false