2,2-dimethylmorpholine hydrochloride

• ChemBase ID: 63183
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: Cl.C1NCCOC1(C)C
• Canonical SMILES: CC1(C)CNCCO1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-6(2)5-7-3-4-8-6;/h7H,3-5H2,1-2H3;1H
• InChIKey: BVVMNSNLWMCMOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylmorpholine hydrochloride
• IUPAC Traditional name: 2,2-dimethylmorpholine hydrochloride
• Synonyms: 2,2-Dimethylmorpholine hydrochloride

Database IDs

• CAS Number: 167946-94-3
• MDL Number: MFCD16037342
• PubChem SID: 162028922
• PubChem CID: 22036888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6631846
• LogD (pH = 7.4): -1.0848658
• Log P: 0.28577277
• Molar Refractivity: 32.8249 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%