2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy )-

Modify Date: 2025-08-27 08:50:06

2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy )- structure	Common Name	2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy )-
	CAS Number	85127-92-0	Molecular Weight	315.41000
	Density	1.08g/cm3	Boiling Point	437.7ºC at 760 mmHg
	Molecular Formula	C₁₈H₂₅N₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	218.5ºC

Name	1-(tert-butylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol

Density	1.08g/cm3
Boiling Point	437.7ºC at 760 mmHg
Molecular Formula	C₁₈H₂₅N₃O₂
Molecular Weight	315.41000
Flash Point	218.5ºC
Exact Mass	315.19500
PSA	59.31000
LogP	2.92080
Index of Refraction	1.548
InChIKey	JXPMOHORRCTRTH-UHFFFAOYSA-N
SMILES	C=C(c1ccccc1OCC(O)CNC(C)(C)C)n1cccn1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UA8490000

CHEMICAL NAME :: 2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)ph enoxy)-

CAS REGISTRY NUMBER :: 85127-92-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H25-N3-O2

MOLECULAR WEIGHT :: 315.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 22300 ug/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: 27,1142,1984

N/A structure

N/A

CAS#:90742-84-0

~%

2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy )- Structure

2-Propanol, 3-(...

CAS#:85127-92-0

Literature: Ogata; Matsumoto; Takahashi; Shimizu; Kida; Ueda; Kimoto; Haruna Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1142 - 1149

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