2-(5-Indolyl)acetonitrile - CAS 23690-49-5
Catalog: |
BB018147 |
Product Name: |
2-(5-Indolyl)acetonitrile |
CAS: |
23690-49-5 |
Synonyms: |
2-(1H-indol-5-yl)acetonitrile; 2-(1H-indol-5-yl)acetonitrile |
IUPAC Name: | 2-(1H-indol-5-yl)acetonitrile |
Description: | 2-(5-Indolyl)acetonitrile (CAS# 23690-49-5) is a useful research chemical. |
Molecular Weight: | 156.18 |
Molecular Formula: | C10H8N2 |
Canonical SMILES: | C1=CC2=C(C=CN2)C=C1CC#N |
InChI: | InChI=1S/C10H8N2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,12H,3H2 |
InChI Key: | OXUQBDQMQTZQPK-UHFFFAOYSA-N |
LogP: | 2.23398 |
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 |
WO-2020061377-A1 | Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof | 20180919 |
CN-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 20180919 |
US-2010048513-A1 | Novel inhibitors of chymase | 20080820 |
EP-1716160-A2 | Novel inhibitors of chymase | 20040123 |
EP-1716160-B1 | Novel inhibitors of chymase | 20040123 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.068748264 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 39.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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