4-propylpiperidine

• ChemBase ID: 15933
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1CCC(CC1)CCC
• Canonical SMILES: CCCC1CCNCC1
• InChI: InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3
• InChIKey: RQGBFVLTFYRYKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylpiperidine
• IUPAC Traditional name: 4-propyl-piperidine
• Synonyms: 4-n-Propylpiperidine; 4-n-Propylpiperidine; 4-Propylpiperidine; 4-正丙基哌啶

Database IDs

• CAS Number: 22398-09-0
• EC Number: 244-956-9
• MDL Number: MFCD00023151
• PubChem SID: 160979240
• PubChem CID: 31169

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3979445
• LogD (pH = 7.4): -0.94162846
• Log P: 1.833644
• Molar Refractivity: 40.586 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 178-180°C
• Flash Point: 48°C(118°F)
• Density: 0.864
• Refractive Index: 1.4530
• Hydrophobicity(logP): 2.512

Safety Information

• Storage Warning: Air Sensitive; Irritant; IRRITANT, FLAMMABLE
• RTECS: TN3740005
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310

Product Information

• Purity: 95%; 97%