2-ethyl-5-methylpyrazine; 2-ethyl-6-methylpyrazine

• ChemBase ID: 153060
• Molecular Formular: C14H20N4
• Molecular Mass: 244.3354
• Monoisotopic Mass: 244.16879666
• SMILES: CCc1cncc(n1)C.CCc1cnc(cn1)C
• Canonical SMILES: CCc1cncc(n1)C.CCc1cnc(cn1)C
• InChI: InChI=1S/2C7H10N2/c1-3-7-5-8-6(2)4-9-7;1-3-7-5-8-4-6(2)9-7/h2*4-5H,3H2,1-2H3
• InChIKey: MHVIQJDXHDKUAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-5-methylpyrazine; 2-ethyl-6-methylpyrazine
• IUPAC Traditional name: 2-ethyl-6-methylpyrazine; pyrazine, 2-ethyl-5-methyl-
• Synonyms: 2-Ethyl-5(6)-methylpyrazine; 2-乙基-5(6)-甲基吡嗪

Database IDs

• CAS Number: 36731-41-6
• EC Number: 253-175-2
• MDL Number: MFCD09039261
• PubChem SID: 24901496; 162247200
• PubChem CID: 16220105
• FEMA ID: 3154

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.50105095
• LogD (pH = 7.4): 0.5011756
• Log P: 0.50117713
• Molar Refractivity: 35.5541 cm^3
• Polarizability: 13.904847 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 57 °C/10 mmHg(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 0.964 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.502-1.505(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H335
• GHS Precautionary statements: 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

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥98%
• Grade: Kosher
• Empirical Formula (Hill Notation): C7H10N2

DETAILS

Sigma Aldrich - W315400

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle