3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone - CAS 10333-11-6
Catalog: |
BB001087 |
Product Name: |
3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone |
CAS: |
10333-11-6 |
Synonyms: |
3,4,5,6,7,8-hexahydro-1H-quinolin-2-one |
IUPAC Name: | 3,4,5,6,7,8-hexahydro-1H-quinolin-2-one |
Description: | 3,4,5,6,7,8-Hexahydro-2(1H)-quinolinone (CAS# 10333-11-6 ) is a useful research chemical. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | C1CCC2=C(C1)CCC(=O)N2 |
InChI: | InChI=1S/C9H13NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H2,(H,10,11) |
InChI Key: | QKNPGPYFWRUKRM-UHFFFAOYSA-N |
Boiling Point: | 361 °C at 760 mmHg |
Melting Point: | 143-146 °C(lit.) |
Purity: | 95 % |
Density: | 1.09 g/cm3 |
MDL: | MFCD00012091 |
LogP: | 2.05330 |
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-2013103150-A1 | Acid adduct salt of substituted pyridine compound | 20120106 |
WO-2012005343-A1 | Substituted pyridine compound | 20100709 |
AU-2009314310-A1 | Pyridine, bicyclic pyridine and related analogs as sirtuin modulators | 20081029 |
CA-2742297-A1 | Pyridine, bicyclic pyridine and related analogs as sirtuin modulators | 20081029 |
EP-2350051-A1 | Pyridine, bicyclic pyridine and related analogs as sirtuin modulators | 20081029 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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