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