3,5-dimethylpiperidine

• ChemBase ID: 76858
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CC(CC(C1)C)C
• Canonical SMILES: CC1CNCC(C1)C
• InChI: InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3
• InChIKey: IDWRJRPUIXRFRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylpiperidine
• IUPAC Traditional name: piperidine, 3,5-dimethyl-
• Synonyms: 3,5-Dimethylpiperidine, mixture of cis and trans; 3,5-Dimethylpiperidine, cis + trans; 3,5-Dimethylpiperidine, cis + trans; 3,5-Lupetidine; 3,5-Dimethylpiperidine; 3,5-二甲基哌啶; 3,5-二甲基哌啶（顺反异构体混合物）; 3,5-二甲基哌啶,顺式+反式

Database IDs

• CAS Number: 35794-11-7
• EC Number: 252-730-6
• MDL Number: MFCD00005996
• Beilstein Number: 102638
• PubChem SID: 162041760; 24851202
• PubChem CID: 118259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8490533
• LogD (pH = 7.4): -1.5496185
• Log P: 1.3874333
• Molar Refractivity: 35.7786 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 142-146°C; 144 °C(lit.)
• Flash Point: 32°C(89°F); 33 °C; 91.4 °F
• Density: 0.830; 0.853 g/mL at 25 °C(lit.)
• Refractive Index: 1.4454; n20/D 1.4454(lit.)

Safety Information

• Storage Warning: Irritant/Flammable
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥96%; 97%; 98%
• Empirical Formula (Hill Notation): C7H15N

DETAILS

Sigma Aldrich - 186104

Packaging
25 g in glass bottle
Application
Reactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors1 MMP-13 selective isonipecotamide α-sulfone hydroxamates2 Gem-diamines for active organocatalysts for biodiesel production3 Benzimidazole inhibitors of the antigen receptor-mediated NF-κB4 Reactant for Mannich reactions to form Ru(II) complexes5