5-Ethynyl-1,2-dimethyl-1H-imidazole - CAS 1201657-10-4
Catalog: |
BB004743 |
Product Name: |
5-Ethynyl-1,2-dimethyl-1H-imidazole |
CAS: |
1201657-10-4 |
Synonyms: |
5-ethynyl-1,2-dimethylimidazole; 5-ethynyl-1,2-dimethylimidazole |
IUPAC Name: | 5-ethynyl-1,2-dimethylimidazole |
Description: | 5-Ethynyl-1,2-dimethyl-1H-imidazole (CAS# 1201657-10-4 ) is a useful research chemical. |
Molecular Weight: | 120.15 |
Molecular Formula: | C7H8N2 |
Canonical SMILES: | CC1=NC=C(N1C)C#C |
InChI: | InChI=1S/C7H8N2/c1-4-7-5-8-6(2)9(7)3/h1,5H,2-3H3 |
InChI Key: | FLBRASZYLXQMBC-UHFFFAOYSA-N |
LogP: | 0.70980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015158605-A1 | Hetaryl substituted malononitrile compounds | 20140416 |
US-10675286-B2 | Heterocyclic compounds and uses thereof | 20140319 |
US-2015290207-A1 | Heterocyclic compounds and uses thereof | 20140319 |
US-2018055852-A1 | Heterocyclic compounds and uses thereof | 20140319 |
US-9775844-B2 | Heterocyclic compounds and uses thereof | 20140319 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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