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40600-13-3

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Basic Information
CAS No.: 40600-13-3
Name: CIRAZOLINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 40600-13-3 (CIRAZOLINE HYDROCHLORIDE)
Formula: C13H17ClN2O
Molecular Weight: 216.2789
Synonyms: 1H-Imidazole,2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-, monohydrochloride (9CI);2-[(2-Cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazolium chloride;Cirazoline hydrochloride;LD 3098;
EINECS: 254-995-3
Density: 1.25 g/cm3
Boiling Point: 409.5 °C at 760 mmHg
Flash Point: 201.4 °C
Solubility: H2O: >35 mg/mL
Safety: 22-24/25
PSA: 33.62000
LogP: 2.51090
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Specification

The CAS register number of 1H-Imidazole,2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-, hydrochloride (1:1) is 40600-13-3. It also can be called as 2-[(2-Cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride (1:1) and the IUPAC name about this chemical is 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole hydrochloride. The molecular formula about this chemical is C13H17ClN2O and the molecular weight is 252.74. It belongs to the Adrenoceptor. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 1H-Imidazole,2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-, hydrochloride (1:1) are: (1)ACD/LogP: 3.19; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 24.83Å2; (6)Flash Point: 201.4 °C; (7)Enthalpy of Vaporization: 63.59 kJ/mol; (8)Boiling Point: 409.5 °C at 760 mmHg; (9)Vapour Pressure: 1.53E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1c(cccc1)C2CC2)CC/3=N/CCN\3
(2)InChI: InChI=1/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H
(3)InChIKey: XFRXWLWUUDJHPB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C13H16N2O.ClH/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13;/h1-4,10H,5-9H2,(H,14,15);1H
(5)Std. InChIKey: XFRXWLWUUDJHPB-UHFFFAOYSA-N