4-ethoxypiperidine hydrochloride

• ChemBase ID: 15417
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N1CCC(CC1)OCC.Cl
• Canonical SMILES: CCOC1CCNCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-9-7-3-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: PJHAUBFOPBCASB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxypiperidine hydrochloride
• IUPAC Traditional name: 4-ethoxypiperidine hydrochloride
• Synonyms: 4-Ethoxypiperidine hydrochloride; 4-Ethoxypiperidine hydrochloride; 4-乙氧基哌啶盐酸盐

Database IDs

• CAS Number: 1122-86-7; 1122-87-8
• MDL Number: MFCD06804554
• PubChem SID: 160978724
• PubChem CID: 11506518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0948193
• LogD (pH = 7.4): -2.4064136
• Log P: 0.12511557
• Molar Refractivity: 37.9175 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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: 96%; 98%