CAS No.89197-00-2,EFAROXAN HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89197-00-2
Name:	EFAROXAN HYDROCHLORIDE

Formula:	C₁₃H₁₇ClN₂O
Molecular Weight:	252.74
Synonyms:	1H-Imidazole,2-(2-ethyl-2,3-dihydro-2-benzofuranyl)-4,5-dihydro-, monohydrochloride (9CI);Efaroxan hydrochloride;RX 821037;
Boiling Point:	387 °C at 760 mmHg
Flash Point:	187.9 °C
Solubility:	H₂O: 300 mg/mL
Hazard Symbols:	T
Risk Codes:	25
Safety:	7-35-45
Transport Information:	UN 2811
PSA:	33.62000
LogP:	2.33840

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Specification

The 1H-Imidazole,2-(2-ethyl-2,3-dihydro-2-benzofuranyl)-4,5-dihydro-, hydrochloride (1:1), with CAS registry number 89197-00-2, belongs to the following product category: Adrenoceptor. This chemical should be stored at room temperature. And the chemical formula of this chemical is C₁₃H₁₇ClN₂O.

Physical properties of 1H-Imidazole,2-(2-ethyl-2,3-dihydro-2-benzofuranyl)-4,5-dihydro-, hydrochloride (1:1): (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.83 Å²; (13)Flash Point: 187.9 °C; (14)Enthalpy of Vaporization: 61.12 kJ/mol; (15)Boiling Point: 387 °C at 760 mmHg; (16)Vapour Pressure: 7.56E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Imidazole,2-(2-ethyl-2,3-dihydro-2-benzofuranyl)-4,5-dihydro-, hydrochloride (1:1) is toxic if swallowed. You should keep its container tightly closed. This material and its container must be disposed of in a safe way. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N\1=C(\NCC/1)C3(Oc2ccccc2C3)CC
(2)InChI: InChI=1/C13H16N2O.ClH/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13;/h3-6H,2,7-9H2,1H3,(H,14,15);1H
(3)InChIKey: DWOIUCRHVWIHAH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H16N2O.ClH/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13;/h3-6H,2,7-9H2,1H3,(H,14,15);1H
(5)Std. InChIKey: DWOIUCRHVWIHAH-UHFFFAOYSA-N