ethyl[3-(morpholin-4-yl)propyl]amine

• ChemBase ID: 24499
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CCCNCC)CCOCC1
• Canonical SMILES: CCNCCCN1CCOCC1
• InChI: InChI=1S/C9H20N2O/c1-2-10-4-3-5-11-6-8-12-9-7-11/h10H,2-9H2,1H3
• InChIKey: ZYEXGRIFQOMQNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[3-(morpholin-4-yl)propyl]amine
• IUPAC Traditional name: ethyl[3-(morpholin-4-yl)propyl]amine
• Synonyms: N-Ethyl-3-(4-morpholinyl)-1-propanamine; N-ethyl-3-morpholin-4-ylpropan-1-amine

Database IDs

• CAS Number: 915921-49-2
• MDL Number: MFCD08691500
• PubChem SID: 160987806
• PubChem CID: 23009178

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8524628
• LogD (pH = 7.4): -2.8871505
• Log P: 0.024033293
• Molar Refractivity: 51.401 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false