Name: para-Hydroxyclonidine
SKU: 57101-48-1

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Basic Information

Molecular Structure:
CAS No.:	57101-48-1
Name:	para-Hydroxyclonidine

Formula:	C₉H₉Cl₂N₃O
Molecular Weight:	246.096
Synonyms:	ST 666;p-Hydroxyclonidine;
Density:	1.635 g/cm³
Boiling Point:	373.706 °C at 760 mmHg
Flash Point:	179.811 °C
PSA:	56.65000
LogP:	1.90750

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Specification

The 4-Hydroxyclonidine, with the CAS registry number 57101-48-1, is also known as p-Hydroxyclonidine. It belongs to the product categories of Amines; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₉H₉Cl₂N₃O and molecular weight is 246.10. What's more, its systematic name is 3,5-Dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenol.

Physical properties of 4-Hydroxyclonidine are: (1)ACD/LogP: 2.014; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.08; (8)ACD/KOC (pH 7.4): 9.28; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.65 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 58.137 cm³; (15)Molar Volume: 150.51 cm³; (16)Polarizability: 23.047×10^-24cm³; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.635 g/cm³; (19)Flash Point: 179.811 °C; (20)Enthalpy of Vaporization: 64.538 kJ/mol; (21)Boiling Point: 373.706 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 4-Hydroxyclonidine: it can be used to produce 2-{[4-(acetyloxy)-2,6-dichlorophenyl]imino}-1,3-diacetylimidazolidine by heating. The yield is about 63%.

4-Hydroxyclonidine can be used to produce 2-{[4-(acetyloxy)-2,6-dichlorophenyl]imino}-1,3-diacetylimidazolidine by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)cc(O)c1)N/C2=N/CCN2
(2)Std. InChI: InChI=1S/C9H9Cl2N3O/c10-6-3-5(15)4-7(11)8(6)14-9-12-1-2-13-9/h3-4,15H,1-2H2,(H2,12,13,14)
(3)Std. InChIKey: NTWBRPXHGAXREI-UHFFFAOYSA-N