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Apraclonidine

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Name

Apraclonidine

EINECS N/A
CAS No. 66711-21-5 Density 1.63 g/cm3
PSA 62.44000 LogP 3.16730
Solubility N/A Melting Point >230°
Formula C9H10Cl2N4 Boiling Point 395.5 °C at 760 mmHg
Molecular Weight 245.111 Flash Point 193 °C
Transport Information N/A Appearance N/A
Safety 22-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 66711-21-5 (Apraclonidine) Hazard Symbols ToxicT
Synonyms

2-(4-Amino-2,6-dichlorophenylamino)-2-imidazoline;Aplonidine;Apraclonidine;Lopidine;NC 14;p-Aminoclonidine;

Article Data 3

Apraclonidine Specification

The Apraclonidine, with the CAS registry number 66711-21-5, has the systematic name of 2,6-dichloro-N1-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine. It should be stored at 2-8°C. And the molecular formula of the chemical is C9H10Cl2N4.

The characteristics of Apraclonidine are as followings: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.31; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.08 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 59.19 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 23.46×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 193 °C; (20)Enthalpy of Vaporization: 64.57 kJ/mol; (21)Boiling Point: 395.5 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-06 mmHg at 25°C.  

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection to avoid breathing dust, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(c(Cl)cc(N)c1)N/C2=N/CCN2
(2)InChI: InChI=1/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
(3)InChIKey: IEJXVRYNEISIKR-UHFFFAOYAL

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