5-Methylpyrazine-2-carbonitrile - CAS 98006-91-8
Catalog: |
BB042087 |
Product Name: |
5-Methylpyrazine-2-carbonitrile |
CAS: |
98006-91-8 |
Synonyms: |
5-methyl-2-pyrazinecarbonitrile; 5-methylpyrazine-2-carbonitrile |
IUPAC Name: | 5-methylpyrazine-2-carbonitrile |
Description: | 5-Methylpyrazine-2-carbonitrile (CAS# 98006-91-8) is a useful research chemical. |
Molecular Weight: | 119.12 |
Molecular Formula: | C6H5N3 |
Canonical SMILES: | CC1=NC=C(N=C1)C#N |
InChI: | InChI=1S/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3 |
InChI Key: | AYMRPLHDHGMXOF-UHFFFAOYSA-N |
Boiling Point: | 247.1 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 0.65668 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111925333-A | Preparation method, product and application of 2-amino-5-methylpyrazine | 20200901 |
WO-2021158792-A1 | Methods of treating autoimmune or inflammatory diseases or disorders | 20200204 |
US-2021171543-A1 | Mcl1 inhibitors | 20191112 |
WO-2021071843-A1 | Muscarinic acetylcholine m1 receptor antagonists | 20191007 |
WO-2021019514-A1 | Heterocyclic compounds as kinase inhibitor and uses thereof | 20190801 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.048347172 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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