hexyl[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 263630
• Molecular Formular: C12H26N2O
• Molecular Mass: 214.34764
• Monoisotopic Mass: 214.20451346
• SMILES: N1(CCNCCCCCC)CCOCC1
• Canonical SMILES: CCCCCCNCCN1CCOCC1
• InChI: InChI=1S/C12H26N2O/c1-2-3-4-5-6-13-7-8-14-9-11-15-12-10-14/h13H,2-12H2,1H3
• InChIKey: FNPYUOOVHAHFGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexyl[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: hexyl[2-(morpholin-4-yl)ethyl]amine
• Synonyms: hexyl[2-(morpholin-4-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11180297
• PubChem SID: 164319540
• PubChem CID: 21278415

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4546179
• LogD (pH = 7.4): -0.8263826
• Log P: 1.8203019
• Molar Refractivity: 64.8626 cm^3
• Polarizability: 25.857798 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.6

Product Information

• Purity: 95%