Acetamidine, N-((3,5-dimethyl)-1-adamantyl)methyl-2-mercapto-, HCl

Modify Date: 2024-09-15 14:34:38

Acetamidine, N-((3,5-dimethyl)-1-adamantyl)methyl-2-mercapto-, HCl structure	Common Name	Acetamidine, N-((3,5-dimethyl)-1-adamantyl)methyl-2-mercapto-, HCl
	CAS Number	40284-11-5	Molecular Weight	302.90600
	Density	1.25g/cm3	Boiling Point	369.4ºC at 760 mmHg
	Molecular Formula	C₁₅H₂₇ClN₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	177.2ºC

Name	N'-[(3,5-dimethyl-1-adamantyl)methyl]-2-sulfanylethanimidamide

Density	1.25g/cm3
Boiling Point	369.4ºC at 760 mmHg
Molecular Formula	C₁₅H₂₇ClN₂S
Molecular Weight	302.90600
Flash Point	177.2ºC
Exact Mass	302.15800
PSA	74.68000
LogP	4.77230
Index of Refraction	1.648

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AD0690000

CHEMICAL NAME :: Acetamidine, N-((3,5-dimethyl)-1-adamantyl)methyl-2-mercapto-, hydrochloride

CAS REGISTRY NUMBER :: 40284-11-5

LAST UPDATED :: 199012

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C15-H26-N2-S.Cl-H

MOLECULAR WEIGHT :: 302.95

WISWESSER LINE NOTATION :: L66 B6/B-H/DI A B- C 1B ITJ B1MYUM&1SH D1 F1 &GH

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 :: 175 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: 15,1313,1972

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 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: 15,1313,1972