4-(2-chloroethyl)morpholine

• ChemBase ID: 70697
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: N1(CCOCC1)CCCl
• Canonical SMILES: ClCCN1CCOCC1
• InChI: InChI=1S/C6H12ClNO/c7-1-2-8-3-5-9-6-4-8/h1-6H2
• InChIKey: ZAPMTSHEXFEPSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloroethyl)morpholine
• IUPAC Traditional name: morpholine, 4-(2-chloroethyl)-
• Synonyms: 4-(2-Chloroethyl)morpholine

Database IDs

• CAS Number: 3240-94-6
• MDL Number: MFCD00603731
• PubChem SID: 162036410
• PubChem CID: 76727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.134164
• LogD (pH = 7.4): 0.61016077
• Log P: 0.6361589
• Molar Refractivity: 38.4059 cm^3
• Polarizability: 15.11678 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%