Ethyl 1H-Indole-3-propanoate - CAS 40641-03-0
Catalog: |
BB024603 |
Product Name: |
Ethyl 1H-Indole-3-propanoate |
CAS: |
40641-03-0 |
Synonyms: |
3-(1H-indol-3-yl)propanoic acid ethyl ester; ethyl 3-(1H-indol-3-yl)propanoate |
IUPAC Name: | ethyl 3-(1H-indol-3-yl)propanoate |
Description: | Ethyl 1H-Indole-3-propanoate (CAS# 40641-03-0 ) is a useful research chemical. |
Molecular Weight: | 217.26 |
Molecular Formula: | C13H15NO2 |
Canonical SMILES: | CCOC(=O)CCC1=CNC2=CC=CC=C21 |
InChI: | InChI=1S/C13H15NO2/c1-2-16-13(15)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,2,7-8H2,1H3 |
InChI Key: | ZMGHKYYNDUANOZ-UHFFFAOYSA-N |
Boiling Point: | 367.8 °C at 760 mmHg |
Density: | 1.157 g/cm3 |
LogP: | 2.66360 |
Publication Number | Title | Priority Date |
WO-2019143833-A1 | Compounds for treating rac-gtpase mediated disorder | 20180119 |
EP-3740208-A1 | Compounds for treating rac-gtpase mediated disorder | 20180119 |
US-2020347044-A1 | Compounds for Treating Rac-GTPase Mediated Disorder | 20180119 |
US-2020115327-A1 | Isocyanate production method | 20170515 |
US-10968168-B2 | Isocyanate production method | 20170515 |
PMID | Publication Date | Title | Journal |
20421998 | 20100421 | A novel endogenous indole protects rodent mitochondria and extends rotifer lifespan | PloS one |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.110278721 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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