6-Benzyl-3,4,5,6,7,8-hexahydro-1,6-naphthyridin-2(1H)-one - CAS 210539-03-0
Catalog: |
BB016568 |
Product Name: |
6-Benzyl-3,4,5,6,7,8-hexahydro-1,6-naphthyridin-2(1H)-one |
CAS: |
210539-03-0 |
Synonyms: |
6-(phenylmethyl)-1,3,4,5,7,8-hexahydro-1,6-naphthyridin-2-one; 6-benzyl-1,3,4,5,7,8-hexahydro-1,6-naphthyridin-2-one |
IUPAC Name: | 6-benzyl-1,3,4,5,7,8-hexahydro-1,6-naphthyridin-2-one |
Description: | 6-Benzyl-3,4,5,6,7,8-hexahydro-1,6-naphthyridin-2(1H)-one (CAS# 210539-03-0 ) is a useful research chemical. |
Molecular Weight: | 242.32 |
Molecular Formula: | C15H18N2O |
Canonical SMILES: | C1CC(=O)NC2=C1CN(CC2)CC3=CC=CC=C3 |
InChI: | InChI=1S/C15H18N2O/c18-15-7-6-13-11-17(9-8-14(13)16-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18) |
InChI Key: | SZWKETFREPZUDD-UHFFFAOYSA-N |
Boiling Point: | 464.1 °C at 760 mmHg |
Density: | 1.185 g/cm3 |
MDL: | MFCD09403131 |
LogP: | 2.27020 |
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, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3252059-A1 | Anti-pulmonary tuberculosis nitroimidazole derivative | 20150129 |
JP-2018503658-A | Nitroimidazole derivatives for antipulmonary tuberculosis | 20150129 |
JP-6542900-B2 | Nitroimidazole derivatives for anti-pulmonary tuberculosis | 20150129 |
RU-2675622-C1 | Nitroimidazole derivative against pulmonary tuberculosis | 20150129 |
TW-201632533-A | The nitroimidazole derivative for anti- tuberculosis uberculosis | 20150129 |
Complexity: | 356 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.141913202 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.141913202 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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