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26586-30-1

26586-30-1 structure

26586-30-1 structure

Name: 2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid
Chemical Name: 2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid
CAS Number: 26586-30-1
Molecular Formula: C₁₃H₁₆ClNO₂
Molecular Weight: 253.72500
Create Date: 2017-10-02 05:57:53
Modify Date: 2024-02-04 21:27:34

Name	2-(3-chloro-4-piperidin-1-ylphenyl)acetic acid
Synonyms	ACETIC ACID,(3-CHLORO-4-PIPERIDINOPHENYL) (3-Chloro-4-piperidinophenyl)acetic acid 3-Chlor-4-piperidino-phenylessigsaeure (3-chloro-4-piperidin-1-yl-phenyl)-acetic acid

Density	1.261g/cm3
Boiling Point	427.8ºC at 760mmHg
Molecular Formula	C₁₃H₁₆ClNO₂
Molecular Weight	253.72500
Flash Point	212.5ºC
Exact Mass	253.08700
PSA	40.54000
LogP	3.02240
Vapour Pressure	4.43E-08mmHg at 25°C
Index of Refraction	1.581

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG1190000

CHEMICAL NAME :: Acetic acid, (3-chloro-4-piperidinophenyl)-

CAS REGISTRY NUMBER :: 26586-30-1

BEILSTEIN REFERENCE NO. :: 1252232

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-Cl-N-O2

MOLECULAR WEIGHT :: 253.75

WISWESSER LINE NOTATION :: T6NTJ AR BG D1VQ

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 :: 800 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: 22,1460,1979