4-ethyl-4-methylpiperidine-2,6-dione

• ChemBase ID: 107175
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: CCC1(C)CC(=O)NC(=O)C1
• Canonical SMILES: CCC1(C)CC(=O)NC(=O)C1
• InChI: InChI=1S/C8H13NO2/c1-3-8(2)4-6(10)9-7(11)5-8/h3-5H2,1-2H3,(H,9,10,11)
• InChIKey: ORRZGUBHBVWWOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-4-methylpiperidine-2,6-dione
• IUPAC Traditional name: 3-ethyl-3-methylglutarimide
• Synonyms: β-ETHYL-β-METHYLGLUTARIMIDE; 3-Ethyl-3-methylglutarimide; 3-Methyl-3-ethylglutarimide; Methetharimide; β,β-methylethylglutarimide; Bemegride; 3-乙基-3-甲基戊二酰亚胺; 贝美格

Database IDs

• CAS Number: 64-65-3
• EC Number: 200-588-0
• MDL Number: MFCD00006673
• PubChem SID: 162093167; 24847047
• PubChem CID: 2310
• ATC CODE: R07AB05
• CHEMBL: 1214192
• Chemspider ID: 2220
• KEGG ID: D01957
• Unique Ingredient Identifier: 57DQA39DO2
• Wikipedia Title: Bemegride

CALCULATED PROPERTIES

• Acid pKa: 11.795108
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48273176
• LogD (pH = 7.4): 0.4827147
• Log P: 0.482732
• Molar Refractivity: 40.5071 cm^3
• Polarizability: 16.041395 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white
• Melting Point: 126-127 °C(lit.)

Safety Information

• RTECS: MA4550000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25
• Safety Statements: 22-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H331
• GHS Precautionary statements: P261-P264-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: -20°C

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥99%
• Salt Data: Free Base
• Empirical Formula (Hill Notation): C8H13NO2

DETAILS

MP Biomedicals - 05202840

MP Biomedicals Rare Chemical collection