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1-(2,2,2-Trifluoroethyl)piperazine Dihydrochloride

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

Technical Data

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Computed Properties

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

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

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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

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