4-propoxypiperidine

• ChemBase ID: 31159
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(CC1)OCCC
• Canonical SMILES: CCCOC1CCNCC1
• InChI: InChI=1S/C8H17NO/c1-2-7-10-8-3-5-9-6-4-8/h8-9H,2-7H2,1H3
• InChIKey: VOWMRECKIQVVPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propoxypiperidine
• IUPAC Traditional name: 4-propoxypiperidine
• Synonyms: 4-Propoxy-piperidine; 4-n-Propoxypiperidine; 4-正丙氧基哌啶

Database IDs

• CAS Number: 88536-11-2
• MDL Number: MFCD06248727
• PubChem SID: 160994466
• PubChem CID: 11492037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.572297
• LogD (pH = 7.4): -1.8838911
• Log P: 0.64763796
• Molar Refractivity: 42.4415 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• 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: 95%; 98%