3-ethoxypiperidine

• ChemBase ID: 263732
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CC(OCC)CCC1
• Canonical SMILES: CCOC1CCCNC1
• InChI: InChI=1S/C7H15NO/c1-2-9-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3
• InChIKey: RYNGVDXHFTWXDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxypiperidine
• IUPAC Traditional name: 3-ethoxypiperidine
• Synonyms: 3-ethoxypiperidine; 3-Ethoxypiperidine; 3-乙氧基哌啶

Database IDs

• CAS Number: 88536-17-8
• MDL Number: MFCD05022464
• PubChem SID: 164319642
• PubChem CID: 4341745

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6079264
• LogD (pH = 7.4): -1.619694
• Log P: 0.5825185
• Molar Refractivity: 37.6967 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.779

Safety Information

• 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: 95%; 96%