2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine

• ChemBase ID: 25116
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(OC(C1)C)C)CCN
• Canonical SMILES: NCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C8H18N2O/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6,9H2,1-2H3
• InChIKey: GLOJLKCUVTZRFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)ethanamine
• Synonyms: 2-(2,6-Dimethylmorpholin-4-yl)ethanamine; 2-(2,6-Dimethylmorpholin-4-yl)ethanamine

Database IDs

• CAS Number: 244789-18-2
• MDL Number: MFCD08444750
• PubChem SID: 160988423
• PubChem CID: 2756423

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4235647
• LogD (pH = 7.4): -1.9533708
• Log P: 0.007835255
• Molar Refractivity: 45.85 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.627

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C8H18N2O

DETAILS

Sigma Aldrich - CBR00131

Other Notes
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Legal Information
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