4-(prop-2-en-1-yl)morpholine

• ChemBase ID: 108756
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C=CCN1CCOCC1
• Canonical SMILES: C=CCN1CCOCC1
• InChI: InChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2
• InChIKey: SUSANAYXICMXBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-en-1-yl)morpholine
• IUPAC Traditional name: 4-(prop-2-en-1-yl)morpholine
• Synonyms: ALLYLMORPHOLINE

Database IDs

• CAS Number: 696-57-1
• PubChem SID: 162094187
• PubChem CID: 136522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.9371236
• LogD (pH = 7.4): 0.514206
• Log P: 0.7029188
• Molar Refractivity: 38.2253 cm^3
• Polarizability: 14.872782 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208613

MP Biomedicals Rare Chemical collection