Product Name

  • Name

    N-(2-ADAMANTYL)-2-MERCAPTOACET-AMIDINE HYDROCHLORIDE

  • EINECS
  • CAS No. 40284-08-0
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C12H20N2S•ClH
  • Boiling Point 361.1°Cat760mmHg
  • Molecular Weight 260.86
  • Flash Point 172.2°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 40284-08-0 (N-(2-ADAMANTYL)-2-MERCAPTOACET-AMIDINE HYDROCHLORIDE )
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

N-(2-Adamantyl)-2-mercaptoacetamidine hydrochloride Chemical Properties

IUPAC Name: N'-(2-Adamantyl)-2-sulfanylethanimidamide hydrochloride
Synonyms of N-(2-Adamantyl)-2-mercaptoacetamidine hydrochloride (CAS NO.40284-08-0): Acetamidine, N-(2-adamantyl)-2-mercapto-, hydrochloride
InChI: InChI=1/C12H20N2S.ClH/c13-11(6-15)14-12-9-2-7-1-8(4-9)5-10(12)3-7;/h7-10,12,15H,1-6H2,(H2,13,14);1H  
InChIKey: HENARLBIUBUVMN-UHFFFAOYAL 
Std. InChI: InChI=1S/C12H20N2S.ClH/c13-11(6-15)14-12-9-2-7-1-8(4-9)5-10(12)3-7;/h7-10,12,15H,1-6H2,(H2,13,14);1H  
Std. InChIKey: HENARLBIUBUVMN-UHFFFAOYSA-N  
CAS NO: 40284-08-0 
Molecular Formula: C12H21ClN2S    
Molecular Weight: 260.8265   
Molecular Structure :
H bond acceptors:  2 
H bond donors:  2 
Freely Rotating Bonds:  3 
Polar Surface Area:  40.9Å2 
Flash Point:  172.2 °C 
Enthalpy of Vaporization:  60.69 kJ/mol 
Boiling Point:  361.1 °C at 760 mmHg 
Vapour Pressure:  2.12E-05 mmHg at 25°C 

N-(2-Adamantyl)-2-mercaptoacetamidine hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17mg/kg (17mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.

N-(2-Adamantyl)-2-mercaptoacetamidine hydrochloride Safety Profile

Poison by ingestion and intraperitoneal routes. When  N-(2-Adamantyl)-2-mercaptoacetamidine hydrochloride (CAS NO.40284-08-0) is heated to decomposition, it emits very toxic fumes of NOx, SOx, and HCl.

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