3,5-dimethylmorpholine hydrochloride

• ChemBase ID: 278397
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1C(COCC1C)C.Cl
• Canonical SMILES: CC1COCC(N1)C.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-5-3-8-4-6(2)7-5;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: SBXQYCSQVMVHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylmorpholine hydrochloride
• IUPAC Traditional name: 3,5-dimethylmorpholine hydrochloride
• Synonyms: 3,5-dimethylmorpholine hydrochloride

Database IDs

• CAS Number: 256518-81-7
• MDL Number: MFCD18914344
• PubChem SID: 164334307
• PubChem CID: 12638208

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4871504
• LogD (pH = 7.4): -0.8753079
• 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

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.63

Product Information

• Purity: 95%; 95+%