Ethanimidamide,2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, hydrochloride (1:1)

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Names

[ Name ]:
Ethanimidamide,2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, hydrochloride (1:1)

[Synonym ]:
Acetamidine,N-(1-adamantylmethyl)-2-mercapto-,hydrochloride
Ethanimidamide,7]dec-1-ylmethyl)-,monohydrochloride
N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride
N'-(1-adamantylmethyl)-2-sulfanylethanimidamide hydrochloride

Chemical & Physical Properties

[ Density]:
1.38g/cm3

[ Boiling Point ]:
368.3ºC at 760 mmHg

[ Molecular Formula ]:
C₁₃H₂₃ClN₂S

[ Molecular Weight ]:
274.85300

[ Flash Point ]:
176.6ºC

[ Exact Mass ]:
274.12700

[ PSA ]:
74.68000

[ LogP ]:
3.99210

[ Vapour Pressure ]:
1.28E-05mmHg at 25°C

[ Index of Refraction ]:
1.716

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AD0310000

CHEMICAL NAME :: Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, hydrochloride

CAS REGISTRY NUMBER :: 22545-60-4

LAST UPDATED :: 199012

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C13-H22-N2-S.Cl-H

MOLECULAR WEIGHT :: 274.89

WISWESSER LINE NOTATION :: L66 B6/B-H/DI A B- C 1B ITJ B1MYUM&1SH &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 :: 65 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 :: 22 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

Related Compounds

(5-chlorothiophen-2-yl)(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
(4-(dimethylamino)phenyl)(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
6-(adamantane-1-carbonyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidine
(3,5-dimethoxyphenyl)(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
2-(2-methoxyphenoxy)-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)(3-(trifluoromethyl)phenyl)methanone
(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)(4-(trifluoromethyl)phenyl)methanone
(7-methoxybenzofuran-2-yl)(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
3-(2-oxo-2-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethyl)benzo[d]oxazol-2(3H)-one
6-((2-methoxyphenyl)sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

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