CAS 59177-67-2|1-[(2-bromo-1-adamantyl)methyl]-4-methyl-piperazine dihydrobromide

Introduction：Basic information about CAS 59177-67-2|1-[(2-bromo-1-adamantyl)methyl]-4-methyl-piperazine dihydrobromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA

Common Name	1-[(2-bromo-1-adamantyl)methyl]-4-methyl-piperazine dihydrobromide
CAS Number	59177-67-2	Molecular Weight	489.12700
Density	/	Boiling Point	384.5ºC at 760 mmHg
Molecular Formula	C₁₆H₂₉Br₃N₂	Melting Point	/
MSDS	/	Flash Point	186.4ºC

Names

Name	1-[(2-bromo-1-adamantyl)methyl]-4-methylpiperazine,dihydrobromide

Chemical & Physical Properties

Boiling Point	384.5ºC at 760 mmHg
Molecular Formula	C₁₆H₂₉Br₃N₂
Molecular Weight	489.12700
Flash Point	186.4ºC
Exact Mass	485.98800
PSA	6.48000
LogP	4.61560
InChIKey	KETPWUGIGJJRHJ-UHFFFAOYSA-N
SMILES	Br.Br.CN1CCN(CC23CC4CC(CC(C4)C2Br)C3)CC1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AU4447000

CHEMICAL NAME :: Adamantane, 2-bromo-1-(4-methyl-1-piperazinyl)methyl-, dihydrobromide

CAS REGISTRY NUMBER :: 59177-67-2

LAST UPDATED :: 199007

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C16-H27-Br-N2.2Br-H

MOLECULAR WEIGHT :: 489.20

WISWESSER LINE NOTATION :: L66 B6/B-H/DI A B- C 1B ITJ CE B1- AT6N DNTJ D1 &EH 2

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 :: 586 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: 19,967,1976

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 293 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: 19,967,1976

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