N-Benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)alanine

Modify Date: 2025-11-26 08:20:44

N-Benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)alanine structure	Common Name	N-Benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)alanine
	CAS Number	4092-83-5	Molecular Weight	376.39700
	Density	1.253g/cm3	Boiling Point	619ºC at 760 mmHg
	Molecular Formula	C₂₀H₂₂F₂N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	328.2ºC

Name	2-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid

Density	1.253g/cm3
Boiling Point	619ºC at 760 mmHg
Molecular Formula	C₂₀H₂₂F₂N₂O₃
Molecular Weight	376.39700
Flash Point	328.2ºC
Exact Mass	376.16000
PSA	69.64000
LogP	3.24860
Index of Refraction	1.573
InChIKey	FFOGPIIAKXVFCM-UHFFFAOYSA-N
SMILES	O=C(NC(Cc1ccc(N(CCF)CCF)cc1)C(=O)O)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AY3273000

CHEMICAL NAME :: Alanine, N-benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)-

CAS REGISTRY NUMBER :: 4092-83-5

LAST UPDATED :: 198609

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H22-F2-N2-O3

MOLECULAR WEIGHT :: 376.44

WISWESSER LINE NOTATION :: F2N2FR D1YVQMVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD10 - Lethal Dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 17 mg/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: 8,741,1965

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Product Name: N-Benzoyl-3-(p-(bis(2-fluoroethyl)amino)phenyl)alanine
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