(2S,5S)-2,5-dimethylmorpholine hydrochloride

• ChemBase ID: 294801
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C[C@H]1CO[C@@H](C)CN1.Cl
• Canonical SMILES: C[C@@H]1OC[C@@H](NC1)C.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-5-4-8-6(2)3-7-5;/h5-7H,3-4H2,1-2H3;1H/t5-,6-;/m0./s1
• InChIKey: UIHUHFHYLUKRBX-GEMLJDPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,5-dimethylmorpholine hydrochloride
• IUPAC Traditional name: (2S,5S)-2,5-dimethylmorpholine hydrochloride
• Synonyms: (2S,5S)-2,5-Dimethylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD22199176
• PubChem SID: 180680332
• PubChem CID: 72207238

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5051684
• LogD (pH = 7.4): -0.90756655
• Log P: 0.42177114
• Molar Refractivity: 32.6055 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%