1-(2,2,2-Trifluoroethyl)piperazine Dihydrochloride - CAS 13349-91-2
Catalog: |
BB007767 |
Product Name: |
1-(2,2,2-Trifluoroethyl)piperazine Dihydrochloride |
CAS: |
13349-91-2 |
Synonyms: |
1-(2,2,2-trifluoroethyl)piperazine;dihydrochloride; 1-(2,2,2-trifluoroethyl)piperazine;dihydrochloride |
IUPAC Name: | 1-(2,2,2-trifluoroethyl)piperazine;dihydrochloride |
Description: | 1-(2,2,2-Trifluoroethyl)piperazine Dihydrochloride (CAS# 13349-91-2) is a useful research chemical. |
Molecular Weight: | 241.08 |
Molecular Formula: | C6H13Cl2F3N2 |
Canonical SMILES: | C1CN(CCN1)CC(F)(F)F.Cl.Cl |
InChI: | InChI=1S/C6H11F3N2.2ClH/c7-6(8,9)5-11-3-1-10-2-4-11;;/h10H,1-5H2;2*1H |
InChI Key: | FZNSAOHSKTXHEJ-UHFFFAOYSA-N |
Boiling Point: | 233.7 °C at 760 mmHg |
MDL: | MFCD08261052 |
LogP: | 2.32460 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
WO-2019168446-A1 | Novel cdk 8/19 inhibitors | 20180301 |
EP-3484887-A1 | Wee-1 inhibiting pyrazolopyrimidinone compounds | 20160712 |
US-2019248795-A1 | Wee-1 inhibiting pyrazolopyrimidinone compounds | 20160712 |
WO-2018011569-A1 | Wee-1 inhibiting pyrazolopyrimidinone compounds | 20160712 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.0407883 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.0407883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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