2,2,5,5-tetramethylmorpholine hydrochloride

• ChemBase ID: 275256
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1C(COC(C1)(C)C)(C)C.Cl
• Canonical SMILES: CC1(C)OCC(NC1)(C)C.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-7(2)6-10-8(3,4)5-9-7;/h9H,5-6H2,1-4H3;1H
• InChIKey: ANTRNRDUTPKCLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,5,5-tetramethylmorpholine hydrochloride
• IUPAC Traditional name: 2,2,5,5-tetramethylmorpholine hydrochloride
• Synonyms: 2,2,5,5-tetramethylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD18917304
• PubChem SID: 164331166
• PubChem CID: 54593602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0485623
• LogD (pH = 7.4): -0.5671375
• Log P: 0.98292446
• Molar Refractivity: 41.8819 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 1.668

Product Information

• Purity: 95%