Atipamezole hydrochloride supplier

Name
1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride
EINECS 105-700-9
CAS No. 104075-48-1
Article Data2
CAS DataBase
Density 1.115g/cm3
Solubility
Melting Point 211-215°
Formula C₁₄H₁₆N₂. ClH
Boiling Point 396 °C at 760 mmHg
Molecular Weight 248.75
Flash Point 193.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazole,4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride (9CI);1H-Imidazole,5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, hydrochloride (1:1);
PSA 28.68000
LogP 3.65830

Atipamezole hydrochloride Specification

The Atipamezole hydrochloride with cas registry number of 104075-48-1 is a kind of API compounds. It has a systematic name which is called 5-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-1H-imidazole hydrochloride (1:1). And its IUPAC name is 5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole hydrochloride.

The physical properties about this chemical are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 10.81; (6)ACD/BCF (pH 7.4): 270.94; (7)ACD/KOC (pH 5.5): 67.82; (8)ACD/KOC (pH 7.4): 1699.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 193.3 °C ; (13) Enthalpy of Vaporization: 65.88 kJ/mol; (14)Boiling Point: 396 °C at 760 mmHg; (15)Vapour Pressure: 1.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.n1cc(nc1)C3(Cc2c(cccc2)C3)CC;
(2)InChI: InChI=1/C14H16N2.ClH/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);1H;
(3)InChIKey: PCCVCJAQMHDWJY-UHFFFAOYAT

Product Name

1H-Imidazole, 4-(2-ethyl-2,3-dihydro-1H-inden-2-yl)-, monohydrochloride

Atipamezole hydrochloride Specification

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