4-[2-(aziridin-1-yl)ethyl]morpholine

• ChemBase ID: 112575
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1CN(CCO1)CCN1CC1
• Canonical SMILES: O1CCN(CC1)CCN1CC1
• InChI: InChI=1S/C8H16N2O/c1-2-9(1)3-4-10-5-7-11-8-6-10/h1-8H2
• InChIKey: OORHATOVZQVMRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(aziridin-1-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(aziridin-1-yl)ethyl]morpholine
• Synonyms: N-(MORPHOLINO ETHYL)ETHYLENE IMINE

Database IDs

• PubChem SID: 162106833
• PubChem CID: 21561544

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1393204
• LogD (pH = 7.4): -0.5159617
• Log P: -0.18121141
• Molar Refractivity: 45.1127 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 15.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224708

MP Biomedicals Rare Chemical collection