5-(morpholin-4-ylmethyl)furan-2-carbaldehyde

• ChemBase ID: 17240
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1(CN2CCOCC2)oc(cc1)C=O
• Canonical SMILES: O=Cc1ccc(o1)CN1CCOCC1
• InChI: InChI=1S/C10H13NO3/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2
• InChIKey: ZQILSGYYJOBENS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)furan-2-carbaldehyde
• Synonyms: 5-(morpholinomethyl)-2-furaldehyde; 5-(Morpholin-4-ylmethyl)furan-2-carboxaldehyde; 5-(Morpholin-4-ylmethyl)-2-furaldehyde 97%; 5-Morpholin-4-ylmethyl-furan-2-carbaldehyde

Database IDs

• CAS Number: 392659-97-1
• MDL Number: MFCD01821235
• PubChem SID: 160980547
• PubChem CID: 3159700

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.16001683
• LogD (pH = 7.4): 0.3851143
• Log P: 0.38889223
• Molar Refractivity: 52.5276 cm^3
• Polarizability: 19.819685 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-77.5°C

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%