(cyclohexylmethyl)diethylamine

• ChemBase ID: 297053
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: CCN(CC)CC1CCCCC1
• Canonical SMILES: CCN(CC1CCCCC1)CC
• InChI: InChI=1S/C11H23N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
• InChIKey: ZQXOWIRFHZAWFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)diethylamine
• IUPAC Traditional name: (cyclohexylmethyl)diethylamine
• Synonyms: Diethyl(cyclohexylmethyl)amine; (Cyclohexylmethyl)diethylamine; (环己基甲基)二乙基胺

Database IDs

• CAS Number: 90150-05-3
• MDL Number: MFCD09263657
• PubChem SID: 180682584
• PubChem CID: 11457913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4711122
• LogD (pH = 7.4): 0.030397212
• Log P: 3.0180686
• Molar Refractivity: 55.2303 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 101-104°C/28mm
• Refractive Index: 1.4555

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%