N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamide

Modify Date: 2024-04-02 16:10:29

N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamide Structure
N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamide structure
Common Name N-(((1,1-Dimethylpropyl)amino)(3-pyridinylamino)methylene)-2,2,2-trifluoroacetamide
CAS Number 67026-79-3 Molecular Weight 302.29500
Density 1.22g/cm3 Boiling Point 331.2ºC at 760 mmHg
Molecular Formula C13H17F3N4O Melting Point N/A
MSDS N/A Flash Point 154.1ºC

 Names

Name 2,2,2-trifluoro-N-[N'-(2-methylbutan-2-yl)-N-pyridin-3-ylcarbamimidoyl]acetamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.22g/cm3
Boiling Point 331.2ºC at 760 mmHg
Molecular Formula C13H17F3N4O
Molecular Weight 302.29500
Flash Point 154.1ºC
Exact Mass 302.13500
PSA 66.38000
LogP 3.18050
Index of Refraction 1.505
InChIKey FDOOCOKBXHBFCR-UHFFFAOYSA-N
SMILES CCC(C)(C)N=C(NC(=O)C(F)(F)F)Nc1cccnc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB8131590
CHEMICAL NAME :
Acetamide, N-(((1,1-dimethylpropyl)amino)(3-pyridinylamino)methy lene)-2,2,2-trifluoro-
CAS REGISTRY NUMBER :
67026-79-3
BEILSTEIN REFERENCE NO. :
0430573
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H17-F3-N4-O
MOLECULAR WEIGHT :
302.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,773,1978

 Synonyms

1-TERT-PENTYL-2-PYRAZINYL-3-(PYRIDIN-3-YL)GUANIDINE
N-(1,1-dimethyl-propyl)-N'-pyrazin-2-yl-N''-pyridin-3-yl-guanidine
GUANIDINE,1-tert-PENTYL-2-PYRAZINYL-3-(3-PYRIDYL)
N-(1,1-dimethyl-propyl)-N'-pyridin-3-yl-N''-trifluoroacetyl-guanidine
1-tert-Pentyl-2-pyrazinyl-3-(3-pyridyl)guanidine
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