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Name	N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride	EINECS	N/A
CAS No.	22545-60-4	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C13H22 N2 S . Cl H	Boiling Point	N/A
Molecular Weight	274.89	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of HCl, SO_x, and NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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

N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride Chemical Properties

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

N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride 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.

N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride Safety Profile

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

N-(1-Adamantylmethyl)-2-mercaptoacetamidine hydrochloride 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) .

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