N-(2,6-dichlorophenyl)-4,5-dihydro(4,4,5,5-2H4)-1H-imidazol-2-amine hydrochloride

• ChemBase ID: 164878
• Molecular Formular: C9H10Cl3N3
• Molecular Mass: 266.5548
• Monoisotopic Mass: 264.99403038
• SMILES: c1(cccc(c1NC1=NCCN1)Cl)Cl.Cl
• Canonical SMILES: Clc1cccc(c1NC1=NCCN1)Cl.Cl
• InChI: InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H
• InChIKey: ZNIFSRGNXRYGHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dichlorophenyl)-4,5-dihydro(4,4,5,5-^2H₄)-1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: N-(2,6-dichlorophenyl)(4,4,5,5-^2H₄)-1H-imidazol-2-amine hydrochloride
• Synonyms: N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-(imidazol-d4)-2-amine Hydrochloride; 2-(2,6-Dichloroanilino)-2-(imidazoline-d4) Hydrochloride; Atensina-d4; Capresin-d4; Catapres-d4; Haemiton-d4; Hemiton-d4; Isoglaucon-d4; Katapresan-d4; Neuclon-d4; Normopresan-d4; ST 155-d4; Clonidine-d4 Hydrochloride

Database IDs

• CAS Number: 67151-02-4
• PubChem SID: 162259012
• PubChem CID: 45038695

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.26298487
• LogD (pH = 7.4): 1.6616611
• Log P: 2.4850886
• Molar Refractivity: 59.0888 cm^3
• Polarizability: 21.926548 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White to Off-White Solid
• Melting Point: 306-307°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - C587132

α2-Adrenergic agonist. Antihypertensive; analgesic for neuropathic pain.

REFERENCES

• Roach, A.G., et al.: J. Pharmacol. Exp. Ther., 227, 421 (1983)
• Glassman, A.H., et al.: Science, 226, 864 (1983)
• Abounassif, A.M., et al.: Anal. Profiles Drug Subs. Excip., 21, 109 (1983)