1-(5-Indolinyl)ethanone - CAS 16078-34-5
Catalog: |
BB011669 |
Product Name: |
1-(5-Indolinyl)ethanone |
CAS: |
16078-34-5 |
Synonyms: |
1-(2,3-dihydro-1H-indol-5-yl)ethanone; 1-(2,3-dihydro-1H-indol-5-yl)ethanone |
IUPAC Name: | 1-(2,3-dihydro-1H-indol-5-yl)ethanone |
Description: | 1-(5-Indolinyl)ethanone (CAS# 16078-34-5) is a useful research chemical. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | CC(=O)C1=CC2=C(C=C1)NCC2 |
InChI: | InChI=1S/C10H11NO/c1-7(12)8-2-3-10-9(6-8)4-5-11-10/h2-3,6,11H,4-5H2,1H3 |
InChI Key: | GYMZRGMAWRJZPV-UHFFFAOYSA-N |
Boiling Point: | 318.4 °C at 760 mmHg |
Density: | 1.103 g/cm3 |
LogP: | 1.99520 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3027035-A1 | 1-tetrahydropyranylcarbonyl-2,3-dihydro-1h-indole compounds for treating cancer | 20160610 |
EP-3468965-A1 | 1-tetrahydropyranylcarbonyl-2,3-dihydro-1h-indole compounds for treating cancer | 20160610 |
EP-3468965-B1 | 1-tetrahydropyranylcarbonyl-2,3-dihydro-1h-indole compounds for treating cancer | 20160610 |
IL-263497-D0 | Compounds 1-Tetrahydropyranylcarbonyl-3,2-dihydro-h1-indole for cancer treatment | 20160610 |
JP-2019518027-A | 1-Tetrahydropyranylcarbonyl-2,3-dihydro-1H-indole compounds for treating cancer | 20160610 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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