4-(Difluoromethylene)piperidine Hydrochloride - CAS 208245-66-3
Catalog: |
BB062720 |
Product Name: |
4-(Difluoromethylene)piperidine Hydrochloride |
CAS: |
208245-66-3 |
Synonyms: |
4-(difluoromethylidene)piperidine hydrochloride; 4-(difluoromethylene)piperidine hydrochloride; 4-(difluoromethylidene)piperidine; hydrochloride; 4-(difluoromethylidene)piperidinehydrochloride |
IUPAC Name: | 4-(difluoromethylidene)piperidinehydrochloride |
Description: | 4-(Difluoromethylene)piperidine Hydrochloride is a useful reagent in the preparation of SSR182289A, a selective and potent orally active thrombin inhibitor. |
Molecular Weight: | 133.14 + (36.46) |
Molecular Formula: | C6H9F2N·HCl |
Canonical SMILES: | C1CNCCC1=C(F)F.Cl |
InChI: | InChI=1S/C6H9F2N.ClH/c7-6(8)5-1-3-9-4-2-5/h9H,1-4H21H |
InChI Key: | RGXCXVJYDBNGMU-UHFFFAOYSA-N |
References: | Altenburger, J., et al. Bioorg. Med. Chem., 12, 1713 (2004). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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-2572163-A1 | Pyrazole derivatives | 20040701 |
EP-1762568-A1 | Pyrazole derivatives | 20040701 |
JP-WO2006004027-A1 | Pyrazole derivative | 20040701 |
KR-20070031958-A | Pyrazole derivatives | 20040701 |
US-2008064682-A1 | Pyrazole Derivatives | 20040701 |
WO-2006004027-A1 | Pyrazole derivatives | 20040701 |
AU-2001246671-B2 | Indolin-2-one derivatives, preparation and their use as ocytocin receptor ligands | 20000403 |
CZ-20023297-A3 | Indolin-2-one derivatives, processes for their preparation and pharmaceutical compositions containing them | 20000403 |
EA-005093-B1 | INDOLIN-2-ONE DERIVATIVES, THEIR RECEPTION AND THEIR APPLICATION AS LIHANDS OF OXYTOCIN RECEPTORS | 20000403 |
HU-0303109-A2 | Indolin-2-one derivatives, processes for their preparation and pharmaceutical compositions containing them | 20000403 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0469833 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0469833 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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