1-[(diethylamino)methyl]cyclopentane-1-carbaldehyde

• ChemBase ID: 297554
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: CCN(CC)CC1(CCCC1)C=O
• Canonical SMILES: CCN(CC1(CCCC1)C=O)CC
• InChI: InChI=1S/C11H21NO/c1-3-12(4-2)9-11(10-13)7-5-6-8-11/h10H,3-9H2,1-2H3
• InChIKey: SUNGPOZQDDDPQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(diethylamino)methyl]cyclopentane-1-carbaldehyde
• IUPAC Traditional name: 1-[(diethylamino)methyl]cyclopentane-1-carbaldehyde
• Synonyms: 1-[(Diethylamino)methyl]cyclopentanecarboxaldehyde; 1-(二乙基胺甲基)环戊甲醛

Database IDs

• CAS Number: 208349-33-1
• MDL Number: MFCD08064230
• PubChem SID: 180683085
• PubChem CID: 15365678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4270355
• LogD (pH = 7.4): -0.23490688
• Log P: 1.9845772
• Molar Refractivity: 55.8192 cm^3
• Polarizability: 21.865639 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%