1-cyclohexylpiperidine

• ChemBase ID: 111744
• Molecular Formular: C11H21N
• Molecular Mass: 167.29114
• Monoisotopic Mass: 167.16739968
• SMILES: C1CCC(CC1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C11H21N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11H,1-10H2
• InChIKey: DSSKLTAHHALFRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylpiperidine
• IUPAC Traditional name: cyclohexylpiperidine
• Synonyms: CYCLOHEXYL PIPERIDINE; 1-Piperidinylcyclohexane; 1-Cyclohexylpiperidine; 1-Cyclohexylpiperidine; 1-环己基哌啶

Database IDs

• CAS Number: 3319-01-5
• EC Number: 222-016-9
• MDL Number: MFCD00014642
• Beilstein Number: 105594
• PubChem SID: 162096742
• PubChem CID: 18724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.65373385
• LogD (pH = 7.4): -0.27263325
• Log P: 2.839806
• Molar Refractivity: 53.1443 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 231-234°C
• Density: 0.914
• Refractive Index: 1.4880

Safety Information

• RTECS: TM6520000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• Risk Statements: 36/38; R:34
• Safety Statements: 23-26-37; S:26-27/28-36/37/39-46-64
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05220691

MP Biomedicals Rare Chemical collection