(2H11)piperidine

• ChemBase ID: 146825
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: C1CCNCC1
• Canonical SMILES: C1CCCNC1
• InChI: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
• InChIKey: NQRYJNQNLNOLGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₁₁)piperidine
• IUPAC Traditional name: (^2H₁₁)piperidine
• Synonyms: Piperidine-d11; 哌啶-d11

Database IDs

• CAS Number: 143317-90-2
• MDL Number: MFCD00145124
• PubChem SID: 162241017; 24868385
• PubChem CID: 16212919

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5751903
• LogD (pH = 7.4): -2.1490471
• Log P: 0.65748763
• Molar Refractivity: 26.8354 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -13 °C(lit.)
• Boiling Point: 106 °C(lit.)
• Flash Point: 16 °C; 60.8 °F
• Density: 0.973 g/mL at 25 °C
• Refractive Index: n20/D 1.448(lit.)
• Mass Shift: M+11

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 2401
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H311-H314-H331
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2401 8/PG 1

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 96.11 by atom % calculation
• Empirical Formula (Hill Notation): C5D11N

DETAILS

Sigma Aldrich - 448141

Packaging
1 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.