1-(morpholin-4-ylmethyl)cyclohexane-1-carbaldehyde

• ChemBase ID: 235526
• Molecular Formular: C12H21NO2
• Molecular Mass: 211.30064
• Monoisotopic Mass: 211.15722892
• SMILES: N1(CC2(C=O)CCCCC2)CCOCC1
• Canonical SMILES: O=CC1(CCCCC1)CN1CCOCC1
• InChI: InChI=1S/C12H21NO2/c14-11-12(4-2-1-3-5-12)10-13-6-8-15-9-7-13/h11H,1-10H2
• InChIKey: YDSAEIKJWRAUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-ylmethyl)cyclohexane-1-carbaldehyde
• IUPAC Traditional name: 1-(morpholin-4-ylmethyl)cyclohexane-1-carbaldehyde
• Synonyms: 1-(morpholin-4-ylmethyl)cyclohexane-1-carbaldehyde

Database IDs

• MDL Number: MFCD16699981
• PubChem SID: 164291436
• PubChem CID: 62276741

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.48984674
• LogD (pH = 7.4): 1.1455972
• Log P: 1.4970294
• Molar Refractivity: 59.9975 cm^3
• Polarizability: 23.664925 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.029

Product Information

• Purity: 95%