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Basic information

  • Name:
  • Amantadine

  • CAS No.:
  • 768-94-5

  • Formula:
  • C10H17N
  • Synonyms:
  • 1-Adamantanamine(6CI,8CI);(Adamantan-1-yl)amine;1-Adamantamine;1-Adamantylamine;1-Amantadine;1-Aminoadamantane;Adamantamine;Adamantanamine;Adamantylamine;NSC 341865;Tricyclo[3.3.1.13,7]decane-1-amine;
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Chemistry


IUPAC Name: Adamantan-1-amine 
Molecular Formula: C10H17N
Formula Weight: 151.25
Melting point: 206-208 °C (lit.)
Index of Refraction: 1.557 
Flash Point: 96 °C 
Boiling Point: 225.7 °C  at 760 mmHg
Density: 1.066 g/cm3 
Index of Refraction: 1.557 
Molar Refractivity: 45.67 cm3 
Molar Volume: 141.7 cm3
Surface Tension:  46.7 dyne/cm 
Enthalpy of Vaporization: 46.22 kJ/mol 
Vapour Pressure: 0.0852 mmHg at 25°C
Appearance: Off-white to pale-yellow powder
XLogP3-AA: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)N
InChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2  
InChIKey: DKNWSYNQZKUICI-UHFFFAOYSA-N
Product Categories of Amantadine (CAS NO.768-94-5): Adamantane derivatives

Toxicity Data With Reference

1.    

dnd-esc 10 µmol/L

    MUREAV    Mutation Research. 89 (1981),95.
2.    

orl-mus LD50:900 mg/kg

    DRFUD4    Drugs of the Future. 5 (1980),557.
3.    

ipr-mus LD50:245 mg/kg

    DRFUD4    Drugs of the Future. 5 (1980),557.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Hazard Codes : XnHarmful,XiIrritant
Risk Statements : 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements : 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany : 3
RTECS of Amantadine (CAS NO.768-94-5): YD1925000
Poison by intraperitoneal route. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as an antiviral agent.

Specification

 Amantadine , its CAS NO. is 768-94-5, the synonyms are 1-Adamantanamine ; 1-Adamantylamine ; 1-Aminoadamantane ; 1-Aminotricyclo(3.3.1.1(sup 3,7))decane ; Adamantanamine ; Adamantylamine ; Amantadinum ; Aminoadamantane ; Tricyclo(3.3.1.1(3,7))-decan-1-amine ; Tricyclo(3.3.1.1(sup 3.7))decan-1-amine .

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