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59939-16-1
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Basic Information
CAS No.: 59939-16-1
Name: CIRAZOLINE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 59939-16-1 (CIRAZOLINE HYDROCHLORIDE)
Formula: C13H16N2O
Molecular Weight: 216.283
Synonyms: Cirazoline;
Density: 1.25 g/cm3
Boiling Point: 409.5 °C at 760 mmHg
Flash Point: 201.4 °C
Solubility: H2O: >35 mg/mL
Appearance: white solid
Safety: 22-24/25
PSA: 33.62000
LogP: 1.70890
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Specification

The 1H-Imidazole,2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-, with CAS registry number 59939-16-1, has the systematic name of 2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole. This chemical is a kind of white solid. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 1H-Imidazole,2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 1.57; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 12.99; (8)ACD/KOC (pH 7.4): 17.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 24.83 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 62.3 cm3; (15)Molar Volume: 172.2 cm3; (16)Polarizability: 24.69×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 201.4 °C; (20)Enthalpy of Vaporization: 63.59 kJ/mol; (21)Boiling Point: 409.5 °C at 760 mmHg; (22)Vapour Pressure: 1.53E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(cccc1)C2CC2)CC/3=N/CCN\3
(2)InChI: InChI=1/C13H16N2O/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)
(3)InChIKey: YAORIDZYZDUZCM-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H16N2O/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)
(5)Std. InChIKey: YAORIDZYZDUZCM-UHFFFAOYSA-N