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1124-11-4 molecular structure
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tetramethylpyrazine

ChemBase ID: 69945
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
c1(c(nc(c(n1)C)C)C)C
Canonical SMILES:
Cc1nc(C)c(nc1C)C
InChI:
InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
InChIKey:
FINHMKGKINIASC-UHFFFAOYSA-N

Cite this record

CBID:69945 http://www.chembase.cn/molecule-69945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetramethylpyrazine
IUPAC Traditional name
tetramethylpyrazine
pyrazine, tetramethyl-
Synonyms
2,3,5,6-Tetramethylpyrazine
2,3,5,6-TETRAMETHYL PYRAZINE
Ligustrazine
Chuanxiongzine
Tetramethylpyrazine
2,3,5,6-Tetramethylpyrazine
2,3,5,6-四甲基吡嗪
2,3,5,6-四甲基哌嗪
CAS Number
1124-11-4
EC Number
214-391-2
MDL Number
MFCD00006146
Beilstein Number
113100
PubChem SID
162035670
24901576
24851081
24901575
PubChem CID
14296
FEMA ID
3237
Council of Europe Number
734
Flavis Number
14.018

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.06317192  LogD (pH = 7.4) 0.063379 
Log P 0.063381635  Molar Refractivity 40.1102 cm3
Polarizability 15.593656 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
77-80 °C(lit.) expand Show data source
83-86°C expand Show data source
84-86°C expand Show data source
85-87 °C expand Show data source
Boiling Point
190 °C(lit.) expand Show data source
190°C expand Show data source
190°C expand Show data source
Density
1.08 expand Show data source
Organoleptic
chocolate; musty; coffee expand Show data source
chocolate; musty; fatty; coffee expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
UQ3905000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
22-37/38-41 expand Show data source
R:22 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-39 expand Show data source
S:36/37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
Allergens
no known allergens expand Show data source
Mechanism of Action
Apoptosis inhibitor expand Show data source
Free radicals scavenger expand Show data source
Purity
≥98% expand Show data source
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
natural expand Show data source
NI expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
≤2% water expand Show data source
≤2.0% water (Karl Fischer) expand Show data source
Biological Source
Metab. from Bacillus subtilis; isol. from Galbanum oil. Also in Ligusticum wallichii expand Show data source
Application(s)
Bactericidal agent expand Show data source
Fragrance and flavouring ingredient expand Show data source
Neuroprotective expand Show data source
Protect against pulmonary fibrosis expand Show data source
Protect against renal ischemia/reperfusion injury expand Show data source
Pulmonary vasodilator expand Show data source
Shows antiinflammatory activity expand Show data source
Empirical Formula (Hill Notation)
C8H12N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212219 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W323713 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
25, 100 g in poly bottle
Sigma Aldrich - 183938 external link
Packaging
25, 100 g in poly bottle
Sigma Aldrich - W323705 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
250 g in poly bottle
5 kg in poly drum

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 1. Feng L, Ke N, Cheng F, Guo Y, Li S, Li Q, Li Y. The Protective Mechanism of ligustrazine Against Renal Ischemia/Reperfusion Injury. J Surg Res. 2009 May 14.
  • • 2. Dai L, Hou J, and Cai HR. Using ligustrazine and Angelica sinensis treat the bleomycin-induced pulmonary fibrosis in rats.
  • • Chinese journal of tuberculosis and respiratory diseases 1996; 19(1): 26-28.
  • • 3. Fan LH, Wang KZ, Cheng B, Wang CS, Dang XQ. Anti-apoptotic and neuroprotective effects of Tetramethylpyrazine following spinal cord ischemia in rabbits. BMC Neurosci. 2006 Jun 14;7:48.
  • • Has been used as a component of a buffer to control the acid-catalyzed ring-opening of epoxides: J. Chem. Soc., Perkin 2, 1309 (1972).
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PATENTS

PATENTS

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INTERNET

INTERNET

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