2-(chloromethyl)morpholine hydrochloride

• ChemBase ID: 237718
• Molecular Formular: C5H11Cl2NO
• Molecular Mass: 172.05294
• Monoisotopic Mass: 171.02176934
• SMILES: N1CC(OCC1)CCl.Cl
• Canonical SMILES: ClCC1CNCCO1.Cl
• InChI: InChI=1S/C5H10ClNO.ClH/c6-3-5-4-7-1-2-8-5;/h5,7H,1-4H2;1H
• InChIKey: DJGDVVWHFIEBJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)morpholine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)morpholine hydrochloride
• Synonyms: 2-(chloromethyl)morpholine hydrochloride

Database IDs

• MDL Number: MFCD18711391
• PubChem SID: 164293628
• PubChem CID: 19777253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1206377
• LogD (pH = 7.4): -0.38765994
• Log P: 0.31287798
• Molar Refractivity: 32.7814 cm^3
• Polarizability: 13.288784 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 0.324

Product Information

• Purity: 95%