4-(oxiran-2-ylmethyl)morpholine

• ChemBase ID: 9421
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: O1CCN(CC1)CC1OC1
• Canonical SMILES: O1CCN(CC1)CC1CO1
• InChI: InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2
• InChIKey: KKWQCCPQBCHJBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxiran-2-ylmethyl)morpholine
• IUPAC Traditional name: 4-(oxiran-2-ylmethyl)morpholine
• Synonyms: 4-(2,3-Epoxypropyl)morpholine; 4-(oxiran-2-ylmethyl)morpholine

Database IDs

• CAS Number: 6270-19-5
• MDL Number: MFCD00047415
• PubChem SID: 160972728
• PubChem CID: 97751

CALCULATED PROPERTIES

• Log P: -0.18706436
• Molar Refractivity: 37.8073 cm^3
• Polarizability: 15.092001 Å^3
• Polar Surface Area: 25.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.502022
• LogD (pH = 7.4): -0.2836005

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Boiling Point: 93-98°C/12mm
• Density: 1.05
• Hydrophobicity(logP): -0.31

Safety Information

• TSCA Listed: false

Product Information

• Purity: 95%; 98%