4-methylpiperidine

• ChemBase ID: 92282
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: N1CCC(CC1)C
• Canonical SMILES: CC1CCNCC1
• InChI: InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
• InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperidine
• IUPAC Traditional name: piperidine, 4-methyl-
• Synonyms: γ-Pipecoline; 4-Methylpiperidine; 4-Pipecoline; β-Pipecoline; 4-Methylpiperidine; γ-甲基哌啶; 4-哌可啉; 4-甲基哌啶

Database IDs

• CAS Number: 626-58-4
• EC Number: 210-954-1
• MDL Number: MFCD00006005
• Beilstein Number: 1083
• PubChem SID: 24897156; 162078980; 24885855
• PubChem CID: 69381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2871015
• LogD (pH = 7.4): -1.8313141
• Log P: 0.94450676
• Molar Refractivity: 31.384 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 4-5°C
• Boiling Point: 123-124°C; 124 °C(lit.); 124°C
• Flash Point: 13 °C; 13°C(55°F); 55.4 °F; 7.2°C
• Density: 0.838; 0.838 g/mL at 25 °C(lit.); 0.84 g/ml
• Refractive Index: 1.4458; n20/D 1.446; n20/D 1.446(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Flammable/Irritant
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 1993; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Australian Hazchem: 3YE
• Risk Statements: 11-34; 11-36/37/38; R:11
• Safety Statements: 16-26-36; 16-26-36/37/39-45; S:9-16-29
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 128
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H318; H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P210-P280-P303+P361+P353-P305+P351+P338-P310
• 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 2

Product Information

• Purity: ≥98.0% (GC); 96%; 98+%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H13N

DETAILS

MP Biomedicals - 02151670

Purity: 99%
1 ml = approx. 0.84 g

MP Biomedicals - 05216146

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M73206

Packaging
5, 100, 500 mL in glass bottle