4-(Trifluoromethyl)piperidine hydrochloride - CAS 155849-49-3
Catalog: |
BB011167 |
Product Name: |
4-(Trifluoromethyl)piperidine hydrochloride |
CAS: |
155849-49-3 |
Synonyms: |
4-(trifluoromethyl)piperidine;hydrochloride |
IUPAC Name: | 4-(trifluoromethyl)piperidine;hydrochloride |
Description: | 4-(Trifluoromethyl)piperidine hydrochloride (CAS# 155849-49-3) is used in the preparation of adenosine receptor antagonists. |
Molecular Weight: | 189.61 |
Molecular Formula: | C6H10F3N · HCl |
Canonical SMILES: | C1CNCCC1C(F)(F)F.Cl |
InChI: | InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-1-3-10-4-2-5;/h5,10H,1-4H2;1H |
InChI Key: | KMUKXPQVPQUCDB-UHFFFAOYSA-N |
Boiling Point: | 167 °C at 760 mmHg |
Melting Point: | 155-159 °C |
Purity: | 98 % |
Appearance: | Solid |
MDL: | MFCD04971993 |
LogP: | 2.67910 |
GHS Hazard Statement: | H315 (97.83%): 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-2020083878-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
CN-112867715-A | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
EP-3870582-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
KR-20210083287-A | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
WO-2019149659-A1 | Heterocyclyl-substituted oxadiazolopyridine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0532115 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0532115 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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