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Atipamezole

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Name

Atipamezole

EINECS 1806241-263-5
CAS No. 104054-27-5 Density 1.116 g/cm3
PSA 28.68000 LogP 2.85630
Solubility N/A Melting Point N/A
Formula C14H16N2 Boiling Point 367.131 °C at 760 mmHg
Molecular Weight 212.294 Flash Point 178.006 °C
Transport Information N/A Appearance Off-white to light yellow crystal powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 104054-27-5 (Atipamezole) Hazard Symbols N/A
Synonyms

1H-Imidazole,4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)- (9CI);4-(2-Ethyl-2-indanyl)imidazole;MPV 1248;Atipamezole;4-(2-Ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole;

 

Atipamezole Specification

The 2-Amino-5-hydroxypyrimidine, with the CAS registry number 104054-27-5, is also known as 4-(2-Ethyl-2-indanyl)imidazole. It belongs to the product category of API. This chemical's molecular formula is C14H16N2 and molecular weight is 212.29. What's more, its systematic name is 5-(2-Ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Antagonists; (3)Adrenergic alpha-2 Receptor Antagonists; (4)Adrenergic alpha-antagonists; (5)Antagonist; (6)Antagonist [alpha2-receptor]; (7)Neurotransmitter Agents. This chemical is a synthetic alpha2-adrenergic antagonist, indicated for the reversal of the sedative and analgesic effects of dexmedetomidine and medetomidine in dogs. It has also been researched in humans as a potential anti-Parkinsonian drug.

Physical properties of 2-Amino-5-hydroxypyrimidine are: (1)ACD/LogP: 2.397; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 25.47; (7)ACD/KOC (pH 5.5): 12.48; (8)ACD/KOC (pH 7.4): 312.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 64.628 cm3; (15)Molar Volume: 190.257 cm3; (16)Polarizability: 25.62×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 178.006 °C; (20)Enthalpy of Vaporization: 58.95 kJ/mol; (21)Boiling Point: 367.131 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(nc1)C3(Cc2c(cccc2)C3)CC
(2)Std. InChI: InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
(3)Std. InChIKey: HSWPZIDYAHLZDD-UHFFFAOYSA-N  

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