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22545-60-4

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CAS No.: 22545-60-4
Name: Ethanimidamide,2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 22545-60-4 (Ethanimidamide,2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, hydrochloride (1:1))
Formula: C13H22 N2 S . Cl H
Molecular Weight: 274.89
Synonyms: Acetamidine,N-(1-adamantylmethyl)-2-mercapto-, monohydrochloride (8CI); Ethanimidamide,2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, monohydrochloride (9CI);N-(1-Adamantylmethyl)-2-mercaptoacetamide hydrochloride
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx.
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    Ethanimidamide,2-mercapto-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-, hydrochloride (1:1)

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

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Chemistry

Product Name: N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride (CAS NO.22545-60-4)


Molecular Formula: C13H22N2S•ClH
Molecular Weight: 274.89g/mol
Mol File: 22545-60-4.mol
Boiling point: 368.3 °C at 760 mmHg
Flash Point: 176.6 °C
Enthalpy of Vaporization: 61.5 kJ/mol
Vapour Pressure: 1.28E-05 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride (CAS NO.22545-60-4):
  IUPAC Name: N'-(1-adamantylmethyl)-2-sulfanylethanimidamide hydrochloride
  Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CN=C(CS)N.Cl
  InChI: InChI=1S/C13H22N2S.ClH/c14-12(7-16)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13;/h9-11,16H,1-8H2,(H2,14,15);1H 
  InChIKey: JAUBBHIDNRDRIK-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 65mg/kg (65mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl, SOx, and NOx.

Specification

 N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride ,its CAS NO. is 22545-60-4,the synonyms is NSC 193461 ; Acetamidine, N-(1-adamantylmethyl)-2-mercapto-, monohydrochloride (8CI) ; Ethanimidamide, 2-mercapto-N-(tricyclo(3.3.1.13,7)dec-1-ylmethyl)-, monohydrochloride (9CI) .