Indole-5-carbonitrile - CAS 15861-24-2
Catalog: |
BB011439 |
Product Name: |
Indole-5-carbonitrile |
CAS: |
15861-24-2 |
Synonyms: |
1H-indole-5-carbonitrile |
IUPAC Name: | 1H-indole-5-carbonitrile |
Description: | Inhibitor of enzyme. |
Molecular Weight: | 142.16 |
Molecular Formula: | C9H6N2 |
Canonical SMILES: | C1=CC2=C(C=CN2)C=C1C#N |
InChI: | InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H |
InChI Key: | YHYLDEVWYOFIJK-UHFFFAOYSA-N |
Purity: | 98 % |
Density: | 1.24 g/cm3 |
Appearance: | Off-white crystalline powder |
MDL: | MFCD00005669 |
LogP: | 2.03958 |
GHS Hazard Statement: | H302 (20.83%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113368390-A | Preparation of polybenzazole derivative conductive adhesion layer for nerve electrode modification | 20210618 |
CN-113004188-A | Indole derivative, preparation method and application | 20210316 |
CN-112778280-A | Anthraquinone natural product modified derivative | 20210108 |
CN-112574180-A | N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof | 20201230 |
CN-112574180-B | N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof | 20201230 |
PMID | Publication Date | Title | Journal |
22729279 | 20120807 | The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theory | Physical chemistry chemical physics : PCCP |
21588725 | 20100825 | 4-(1H-Tetra-zol-5-yl)-1H-indole | Acta crystallographica. Section E, Structure reports online |
17109534 | 20061124 | Nucleophilic reactivities of indoles | The Journal of organic chemistry |
16157507 | 20060301 | 1H NMR spectral studies on the polymerization mechanism of indole and its derivatives | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.053098200 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.053098200 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 39.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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